N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide

C20H22N4O2 — CID 163196273

IUPACN-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCCCNNC(=O)c1ccc(CNC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H22N4O2/c1-2-11-22-24-19(25)15-9-7-14(8-10-15)13-21-20(26)18-12-16-5-3-4-6-17(16)23-18/h3-10,12,22-23H,2,11,13H2,1H3,(H,21,26)(H,24,25)
InChIKeyXGCLYPPRQZTIBB-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.74
Rot. Bonds7

About N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide

N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 163196273) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
PubChem CID163196273
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESCCCNNC(=O)c1ccc(CNC(=O)c2cc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H22N4O2/c1-2-11-22-24-19(25)15-9-7-14(8-10-15)13-21-20(26)18-12-16-5-3-4-6-17(16)23-18/h3-10,12,22-23H,2,11,13H2,1H3,(H,21,26)(H,24,25)
InChIKeyXGCLYPPRQZTIBB-UHFFFAOYSA-N
XLogP2.74
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 46921176
[4-[(1H-indole-2-carbonylamino)methyl]phenyl]boronic acid
CID 140927918
N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide
CID 23025509
N-[[4-[(heptylamino)carbamoyl]phenyl]methyl]benzamide
CID 139558708
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 42006153
N'-(2-phenylethyl)-1H-indole-2-carbohydrazide
CID 155552578
N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide
CID 34999950
N-[[4-[(3-amino-4-pyridinyl)carbamoyl]phenyl]methyl]-1H-indole-2-carboxamide
CID 71476191
N-[(1-propylbenzimidazol-5-yl)methyl]-1H-indole-2-carboxamide
CID 50844690
bis(N-benzyl-1H-indole-2-carboxamide);ethane;ethanol;1H-indole-2-carboxylic acid;methanol;phenylmethanamine
CID 159149105
N-(furan-3-ylmethyl)-1H-indole-2-carboxamide
CID 47034241
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409

Frequently Asked Questions

What is the IUPAC name of N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide (CID 163196273) is N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide is CCCNNC(=O)c1ccc(CNC(=O)c2cc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is XGCLYPPRQZTIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-2-11-22-24-19(25)15-9-7-14(8-10-15)13-21-20(26)18-12-16-5-3-4-6-17(16)23-18/h3-10,12,22-23H,2,11,13H2,1H3,(H,21,26)(H,24,25).
What are the key properties of N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide?
N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(propylaminocarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 163196273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).