N-cyclopropyl-4-[[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide

C23H23N3O3 — CID 38043067

IUPACN-cyclopropyl-4-[[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C23H23N3O3/c1-14-20(18-5-3-4-6-19(18)24-14)21(27)23(29)26(2)13-15-7-9-16(10-8-15)22(28)25-17-11-12-17/h3-10,17,24H,11-13H2,1-2H3,(H,25,28)
InChIKeyWPDIBGOBJVWHSI-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.21
Rot. Bonds6

About N-cyclopropyl-4-[[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide

N-cyclopropyl-4-[[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide (PubChem CID 38043067) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide
PubChem CID38043067
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-cyclopropyl-4-[[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C23H23N3O3/c1-14-20(18-5-3-4-6-19(18)24-14)21(27)23(29)26(2)13-15-7-9-16(10-8-15)22(28)25-17-11-12-17/h3-10,17,24H,11-13H2,1-2H3,(H,25,28)
InChIKeyWPDIBGOBJVWHSI-UHFFFAOYSA-N
XLogP3.21
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[[cyclopropyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide
CID 38042817
3-chloro-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55912741
N-cyclopropyl-4-[[[(2R)-2-hydroxy-2-phenylacetyl]-methylamino]methyl]benzamide
CID 86781611
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2,3-trimethylbenzamide
CID 38398694
2-(2-methyl-1H-indol-3-yl)-2-oxo-N,N-di(propan-2-yl)acetamide
CID 7117468
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 86925978
N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide
CID 33360987
4-[(dimethylamino)methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 43393996
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 33345718
4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
CID 95933789
4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
CID 55511124
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-3-nitrobenzamide
CID 38393694

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide (CID 38043067) is N-cyclopropyl-4-[[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide?
The InChIKey is WPDIBGOBJVWHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14-20(18-5-3-4-6-19(18)24-14)21(27)23(29)26(2)13-15-7-9-16(10-8-15)22(28)25-17-11-12-17/h3-10,17,24H,11-13H2,1-2H3,(H,25,28).
What are the key properties of N-cyclopropyl-4-[[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide has a molecular weight of 389.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]methyl]benzamide is sourced from PubChem (CID 38043067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).