2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide

C33H43N5O4 — CID 6450268

IUPAC2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide
SMILESCCC(C)C(C(=O)NC1C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N/C=C\c2ccc(cc2)OC1C(C)C)N(C)C
InChIInChI=1S/C33H43N5O4/c1-7-21(4)29(38(5)6)33(41)37-28-30(20(2)3)42-24-14-12-22(13-15-24)16-17-34-31(39)27(36-32(28)40)18-23-19-35-26-11-9-8-10-25(23)26/h8-17,19-21,27-30,35H,7,18H2,1-6H3,(H,34,39)(H,36,40)(H,37,41)/b17-16-
InChIKeySCJZVYYNGPHJMK-MSUUIHNZSA-N
MW573.74 g/mol
LogP3.86
Rot. Bonds8

About 2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide

2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide (PubChem CID 6450268) has the molecular formula C33H43N5O4 and a molecular weight of 573.74 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide
PubChem CID6450268
Molecular FormulaC33H43N5O4
Molecular Weight573.74 g/mol
Exact Mass573.33
IUPAC Name2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide
SMILESCCC(C)C(C(=O)NC1C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N/C=C\c2ccc(cc2)OC1C(C)C)N(C)C
InChIInChI=1S/C33H43N5O4/c1-7-21(4)29(38(5)6)33(41)37-28-30(20(2)3)42-24-14-12-22(13-15-24)16-17-34-31(39)27(36-32(28)40)18-23-19-35-26-11-9-8-10-25(23)26/h8-17,19-21,27-30,35H,7,18H2,1-6H3,(H,34,39)(H,36,40)(H,37,41)/b17-16-
InChIKeySCJZVYYNGPHJMK-MSUUIHNZSA-N
XLogP3.86
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.74
LogP ≤ 53.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide with MolForge

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

Launch Full Analysis

Related Compounds

Pasireotide
CID 9941444
Lanepitant
CID 3086681
Seglitide
CID 5311430
Spinorphin
CID 3081832
N-[(R)-1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-(1H-indol-3-yl)-ethyl]-2-(4-cyclohexyl-piperazin-1-yl)-acetamide
CID 9850771
Cyt-1010
CID 44129692
Tt-232
CID 6918265
Ecumicin
CID 101894301
Chondramide C
CID 25058784
Phenylalanyl-cyclo(cysteinyltyrosyl-tryptophyl-ornithyl-threonyl-penicillamine)threoninamide
CID 2884
Pasireotide Diaspartate
CID 70788982
Ohmyungsamycin A
CID 73292459

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide?
The IUPAC name of 2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide (CID 6450268) is 2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide?
The canonical SMILES for 2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide is CCC(C)C(C(=O)NC1C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N/C=C\c2ccc(cc2)OC1C(C)C)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide?
The InChIKey is SCJZVYYNGPHJMK-MSUUIHNZSA-N. The full InChI is InChI=1S/C33H43N5O4/c1-7-21(4)29(38(5)6)33(41)37-28-30(20(2)3)42-24-14-12-22(13-15-24)16-17-34-31(39)27(36-32(28)40)18-23-19-35-26-11-9-8-10-25(23)26/h8-17,19-21,27-30,35H,7,18H2,1-6H3,(H,34,39)(H,36,40)(H,37,41)/b17-16-.
What are the key properties of 2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide?
2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide has a molecular weight of 573.74 g/mol, XLogP of 3.86, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylpentanamide is sourced from PubChem (CID 6450268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).