4-(dimethylamino)-N-[17-[4-(dimethylamino)butanoylamino]-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4(9),5,7,10,14(19),15,17-octaen-7-yl]butanamide

C30H34N6O4 — CID 11757107

IUPAC4-(dimethylamino)-N-[17-[4-(dimethylamino)butanoylamino]-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4(9),5,7,10,14(19),15,17-octaen-7-yl]butanamide
SMILESCN(C)CCCC(=O)Nc1ccc2c(c1)cc1c(=O)n3c(cc4cc(NC(=O)CCCN(C)C)ccc43)c(=O)n12
InChIInChI=1S/C30H34N6O4/c1-33(2)13-5-7-27(37)31-21-9-11-23-19(15-21)17-25-29(39)36-24-12-10-22(32-28(38)8-6-14-34(3)4)16-20(24)18-26(36)30(40)35(23)25/h9-12,15-18H,5-8,13-14H2,1-4H3,(H,31,37)(H,32,38)
InChIKeyJLDUNOARJRAVQP-UHFFFAOYSA-N
MW542.64 g/mol
LogP3.22
Rot. Bonds10

About 4-(dimethylamino)-N-[17-[4-(dimethylamino)butanoylamino]-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4(9),5,7,10,14(19),15,17-octaen-7-yl]butanamide

4-(dimethylamino)-N-[17-[4-(dimethylamino)butanoylamino]-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4(9),5,7,10,14(19),15,17-octaen-7-yl]butanamide (PubChem CID 11757107) has the molecular formula C30H34N6O4 and a molecular weight of 542.64 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[17-[4-(dimethylamino)butanoylamino]-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4(9),5,7,10,14(19),15,17-octaen-7-yl]butanamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[17-[4-(dimethylamino)butanoylamino]-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4(9),5,7,10,14(19),15,17-octaen-7-yl]butanamide
PubChem CID11757107
Molecular FormulaC30H34N6O4
Molecular Weight542.64 g/mol
Exact Mass542.26
IUPAC Name4-(dimethylamino)-N-[17-[4-(dimethylamino)butanoylamino]-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4(9),5,7,10,14(19),15,17-octaen-7-yl]butanamide
SMILESCN(C)CCCC(=O)Nc1ccc2c(c1)cc1c(=O)n3c(cc4cc(NC(=O)CCCN(C)C)ccc43)c(=O)n12
InChIInChI=1S/C30H34N6O4/c1-33(2)13-5-7-27(37)31-21-9-11-23-19(15-21)17-25-29(39)36-24-12-10-22(32-28(38)8-6-14-34(3)4)16-20(24)18-26(36)30(40)35(23)25/h9-12,15-18H,5-8,13-14H2,1-4H3,(H,31,37)(H,32,38)
InChIKeyJLDUNOARJRAVQP-UHFFFAOYSA-N
XLogP3.22
TPSA107.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.64
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(dimethylamino)-N-[17-[4-(dimethylamino)butanoylamino]-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4(9),5,7,10,14(19),15,17-octaen-7-yl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[17-[4-(dimethylamino)butanoylamino]-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4(9),5,7,10,14(19),15,17-octaen-7-yl]butanamide?
The IUPAC name of 4-(dimethylamino)-N-[17-[4-(dimethylamino)butanoylamino]-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4(9),5,7,10,14(19),15,17-octaen-7-yl]butanamide (CID 11757107) is 4-(dimethylamino)-N-[17-[4-(dimethylamino)butanoylamino]-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4(9),5,7,10,14(19),15,17-octaen-7-yl]butanamide.
What is the SMILES notation for 4-(dimethylamino)-N-[17-[4-(dimethylamino)butanoylamino]-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4(9),5,7,10,14(19),15,17-octaen-7-yl]butanamide?
The canonical SMILES for 4-(dimethylamino)-N-[17-[4-(dimethylamino)butanoylamino]-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4(9),5,7,10,14(19),15,17-octaen-7-yl]butanamide is CN(C)CCCC(=O)Nc1ccc2c(c1)cc1c(=O)n3c(cc4cc(NC(=O)CCCN(C)C)ccc43)c(=O)n12.
What is the InChIKey of 4-(dimethylamino)-N-[17-[4-(dimethylamino)butanoylamino]-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4(9),5,7,10,14(19),15,17-octaen-7-yl]butanamide?
The InChIKey is JLDUNOARJRAVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O4/c1-33(2)13-5-7-27(37)31-21-9-11-23-19(15-21)17-25-29(39)36-24-12-10-22(32-28(38)8-6-14-34(3)4)16-20(24)18-26(36)30(40)35(23)25/h9-12,15-18H,5-8,13-14H2,1-4H3,(H,31,37)(H,32,38).
What are the key properties of 4-(dimethylamino)-N-[17-[4-(dimethylamino)butanoylamino]-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4(9),5,7,10,14(19),15,17-octaen-7-yl]butanamide?
4-(dimethylamino)-N-[17-[4-(dimethylamino)butanoylamino]-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4(9),5,7,10,14(19),15,17-octaen-7-yl]butanamide has a molecular weight of 542.64 g/mol, XLogP of 3.22, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[17-[4-(dimethylamino)butanoylamino]-2,12-dioxo-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(20),4(9),5,7,10,14(19),15,17-octaen-7-yl]butanamide is sourced from PubChem (CID 11757107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).