38-carbamoyl-5-ethyl-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-25-carboxylic acid

C37H41N11O5 — CID 137253491

IUPAC38-carbamoyl-5-ethyl-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-25-carboxylic acid
SMILESCCn1nc(C)c2c1C(=O)Nc1nc3cc(C(N)=O)ccc3n1CCCCn1c(nc3cc(C(=O)O)ccc31)NC(=O)c1cc(C)nn1CCCCC2
InChIInChI=1S/C37H41N11O5/c1-4-47-31-25(22(3)44-47)10-6-5-7-17-48-30(18-21(2)43-48)33(50)41-36-40-27-20-24(35(52)53)12-14-29(27)45(36)15-8-9-16-46-28-13-11-23(32(38)49)19-26(28)39-37(46)42-34(31)51/h11-14,18-20H,4-10,15-17H2,1-3H3,(H2,38,49)(H,52,53)(H,39,42,51)(H,40,41,50)
InChIKeyLVGIEQJBXLLQQW-UHFFFAOYSA-N
MW719.81 g/mol
LogP4.92
Rot. Bonds3

About 38-carbamoyl-5-ethyl-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-25-carboxylic acid

38-carbamoyl-5-ethyl-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-25-carboxylic acid (PubChem CID 137253491) has the molecular formula C37H41N11O5 and a molecular weight of 719.81 g/mol. Its IUPAC name is 38-carbamoyl-5-ethyl-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-25-carboxylic acid.

Molecular Properties

Compound Name38-carbamoyl-5-ethyl-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-25-carboxylic acid
PubChem CID137253491
Molecular FormulaC37H41N11O5
Molecular Weight719.81 g/mol
Exact Mass719.33
IUPAC Name38-carbamoyl-5-ethyl-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-25-carboxylic acid
SMILESCCn1nc(C)c2c1C(=O)Nc1nc3cc(C(N)=O)ccc3n1CCCCn1c(nc3cc(C(=O)O)ccc31)NC(=O)c1cc(C)nn1CCCCC2
InChIInChI=1S/C37H41N11O5/c1-4-47-31-25(22(3)44-47)10-6-5-7-17-48-30(18-21(2)43-48)33(50)41-36-40-27-20-24(35(52)53)12-14-29(27)45(36)15-8-9-16-46-28-13-11-23(32(38)49)19-26(28)39-37(46)42-34(31)51/h11-14,18-20H,4-10,15-17H2,1-3H3,(H2,38,49)(H,52,53)(H,39,42,51)(H,40,41,50)
InChIKeyLVGIEQJBXLLQQW-UHFFFAOYSA-N
XLogP4.92
TPSA209.87 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.81
LogP ≤ 54.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 38-carbamoyl-5-ethyl-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-25-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 38-carbamoyl-5-ethyl-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-25-carboxylic acid?
The IUPAC name of 38-carbamoyl-5-ethyl-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-25-carboxylic acid (CID 137253491) is 38-carbamoyl-5-ethyl-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-25-carboxylic acid.
What is the SMILES notation for 38-carbamoyl-5-ethyl-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-25-carboxylic acid?
The canonical SMILES for 38-carbamoyl-5-ethyl-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-25-carboxylic acid is CCn1nc(C)c2c1C(=O)Nc1nc3cc(C(N)=O)ccc3n1CCCCn1c(nc3cc(C(=O)O)ccc31)NC(=O)c1cc(C)nn1CCCCC2.
What is the InChIKey of 38-carbamoyl-5-ethyl-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-25-carboxylic acid?
The InChIKey is LVGIEQJBXLLQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41N11O5/c1-4-47-31-25(22(3)44-47)10-6-5-7-17-48-30(18-21(2)43-48)33(50)41-36-40-27-20-24(35(52)53)12-14-29(27)45(36)15-8-9-16-46-28-13-11-23(32(38)49)19-26(28)39-37(46)42-34(31)51/h11-14,18-20H,4-10,15-17H2,1-3H3,(H2,38,49)(H,52,53)(H,39,42,51)(H,40,41,50).
What are the key properties of 38-carbamoyl-5-ethyl-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-25-carboxylic acid?
38-carbamoyl-5-ethyl-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-25-carboxylic acid has a molecular weight of 719.81 g/mol, XLogP of 4.92, 3 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 38-carbamoyl-5-ethyl-7,16-dimethyl-3,19-dioxo-2,5,6,14,15,20,22,29,34,41-decazaheptacyclo[32.7.0.04,8.014,18.021,29.023,28.035,40]hentetraconta-1(41),4(8),6,15,17,21,23(28),24,26,35(40),36,38-dodecaene-25-carboxylic acid is sourced from PubChem (CID 137253491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).