N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

C20H24N4O3 — CID 119419381

IUPACN-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2ccc(OC)c(N)c2)c2ccccc21
InChIInChI=1S/C20H24N4O3/c1-3-11-23-16-6-4-5-7-17(16)24(20(23)26)12-10-19(25)22-14-8-9-18(27-2)15(21)13-14/h4-9,13H,3,10-12,21H2,1-2H3,(H,22,25)
InChIKeyVALKSUAVFLEXLG-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.83
Rot. Bonds7

About N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide

N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (PubChem CID 119419381) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
PubChem CID119419381
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
SMILESCCCn1c(=O)n(CCC(=O)Nc2ccc(OC)c(N)c2)c2ccccc21
InChIInChI=1S/C20H24N4O3/c1-3-11-23-16-6-4-5-7-17(16)24(20(23)26)12-10-19(25)22-14-8-9-18(27-2)15(21)13-14/h4-9,13H,3,10-12,21H2,1-2H3,(H,22,25)
InChIKeyVALKSUAVFLEXLG-UHFFFAOYSA-N
XLogP2.83
TPSA91.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 18292823
N-[4-(carbamoylamino)phenyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 33154220
ethyl 4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]benzoate
CID 27007290
methyl 2-[4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]phenoxy]acetate
CID 55709096
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725
N-(3-amino-4-methoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 119419850
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
CID 24554769
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 38467641
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134056639
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134031392
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide (CID 119419381) is N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is CCCn1c(=O)n(CCC(=O)Nc2ccc(OC)c(N)c2)c2ccccc21.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
The InChIKey is VALKSUAVFLEXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-11-23-16-6-4-5-7-17(16)24(20(23)26)12-10-19(25)22-14-8-9-18(27-2)15(21)13-14/h4-9,13H,3,10-12,21H2,1-2H3,(H,22,25).
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide?
N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide has a molecular weight of 368.44 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 119419381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).