4-amino-N-[3-(diethylamino)propyl]benzamide;2-amino-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

C25H35N7O4 — CID 144902316

IUPAC4-amino-N-[3-(diethylamino)propyl]benzamide;2-amino-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESCC(=O)C(N)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.CCN(CC)CCCNC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O.C11H12N4O3/c1-3-17(4-2)11-5-10-16-14(18)12-6-8-13(15)9-7-12;1-5(16)9(12)10(17)13-6-2-3-7-8(4-6)15-11(18)14-7/h6-9H,3-5,10-11,15H2,1-2H3,(H,16,18);2-4,9H,12H2,1H3,(H,13,17)(H2,14,15,18)
InChIKeyCTBFOHZSMKAINE-UHFFFAOYSA-N
MW497.60 g/mol
LogP1.44
Rot. Bonds10

About 4-amino-N-[3-(diethylamino)propyl]benzamide;2-amino-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

4-amino-N-[3-(diethylamino)propyl]benzamide;2-amino-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (PubChem CID 144902316) has the molecular formula C25H35N7O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is 4-amino-N-[3-(diethylamino)propyl]benzamide;2-amino-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(diethylamino)propyl]benzamide;2-amino-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
PubChem CID144902316
Molecular FormulaC25H35N7O4
Molecular Weight497.60 g/mol
Exact Mass497.28
IUPAC Name4-amino-N-[3-(diethylamino)propyl]benzamide;2-amino-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESCC(=O)C(N)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.CCN(CC)CCCNC(=O)c1ccc(N)cc1
InChIInChI=1S/C14H23N3O.C11H12N4O3/c1-3-17(4-2)11-5-10-16-14(18)12-6-8-13(15)9-7-12;1-5(16)9(12)10(17)13-6-2-3-7-8(4-6)15-11(18)14-7/h6-9H,3-5,10-11,15H2,1-2H3,(H,16,18);2-4,9H,12H2,1H3,(H,13,17)(H2,14,15,18)
InChIKeyCTBFOHZSMKAINE-UHFFFAOYSA-N
XLogP1.44
TPSA179.20 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 51.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;4-N-[4,6-bis[3-(diethylamino)propoxy]-1,3,5-triazin-2-yl]benzene-1,4-diamine
CID 144680768
N-[3-(diethylamino)propyl]-7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-2-sulfonamide;N-[3-(diethylamino)propyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzamide
CID 162078835
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
4-[[2-[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]anilino]-6-oxo-1H-1,3,5-triazin-4-yl]amino]-N-[3-(dipentylamino)propyl]benzamide
CID 135982213
4-carbamothioyl-N-[3-(diethylamino)propyl]benzamide
CID 24690011
4-amino-N-[2-(diethylamino)ethyl]benzamide;copper;hydrochloride
CID 70426685
2-[(4-aminophenyl)diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 147667373
4-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827857
N-[3-(diethylamino)propyl]-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796560
2-amino-5-methoxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanamide
CID 81082977
diethyl 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]propanedioate
CID 121329545
4-[(2-amino-3-phenylpropanoyl)amino]-N-[2-(diethylamino)ethyl]benzamide
CID 119827831

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(diethylamino)propyl]benzamide;2-amino-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The IUPAC name of 4-amino-N-[3-(diethylamino)propyl]benzamide;2-amino-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (CID 144902316) is 4-amino-N-[3-(diethylamino)propyl]benzamide;2-amino-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.
What is the SMILES notation for 4-amino-N-[3-(diethylamino)propyl]benzamide;2-amino-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The canonical SMILES for 4-amino-N-[3-(diethylamino)propyl]benzamide;2-amino-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is CC(=O)C(N)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.CCN(CC)CCCNC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[3-(diethylamino)propyl]benzamide;2-amino-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The InChIKey is CTBFOHZSMKAINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.C11H12N4O3/c1-3-17(4-2)11-5-10-16-14(18)12-6-8-13(15)9-7-12;1-5(16)9(12)10(17)13-6-2-3-7-8(4-6)15-11(18)14-7/h6-9H,3-5,10-11,15H2,1-2H3,(H,16,18);2-4,9H,12H2,1H3,(H,13,17)(H2,14,15,18).
What are the key properties of 4-amino-N-[3-(diethylamino)propyl]benzamide;2-amino-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
4-amino-N-[3-(diethylamino)propyl]benzamide;2-amino-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide has a molecular weight of 497.60 g/mol, XLogP of 1.44, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(diethylamino)propyl]benzamide;2-amino-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is sourced from PubChem (CID 144902316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).