N-cyclopropyl-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]benzamide

C21H25N3O2 — CID 31673829

IUPACN-cyclopropyl-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]benzamide
SMILESO=C(CNc1ccccc1C(=O)NC1CC1)NCCCc1ccccc1
InChIInChI=1S/C21H25N3O2/c25-20(22-14-6-9-16-7-2-1-3-8-16)15-23-19-11-5-4-10-18(19)21(26)24-17-12-13-17/h1-5,7-8,10-11,17,23H,6,9,12-15H2,(H,22,25)(H,24,26)
InChIKeyJGLGPFUQOYGTHR-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.74
Rot. Bonds9

About N-cyclopropyl-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]benzamide

N-cyclopropyl-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]benzamide (PubChem CID 31673829) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]benzamide
PubChem CID31673829
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-cyclopropyl-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]benzamide
SMILESO=C(CNc1ccccc1C(=O)NC1CC1)NCCCc1ccccc1
InChIInChI=1S/C21H25N3O2/c25-20(22-14-6-9-16-7-2-1-3-8-16)15-23-19-11-5-4-10-18(19)21(26)24-17-12-13-17/h1-5,7-8,10-11,17,23H,6,9,12-15H2,(H,22,25)(H,24,26)
InChIKeyJGLGPFUQOYGTHR-UHFFFAOYSA-N
XLogP2.74
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]benzamide
CID 32906957
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9329082
N-cyclopropyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 30635153
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-cyclopropyl-2-[[2-oxo-2-(4-phenylanilino)ethyl]amino]benzamide
CID 24614903
2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144263
N-cyclopropyl-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide
CID 18144260
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631
2-[2-(difluoromethoxy)anilino]-N-(3-phenylpropyl)acetamide
CID 31669319
2-fluoro-N-[2-oxo-2-(3-phenylpropylamino)ethyl]benzamide
CID 2463726
4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide
CID 79401604
2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 51260492

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]benzamide (CID 31673829) is N-cyclopropyl-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]benzamide is O=C(CNc1ccccc1C(=O)NC1CC1)NCCCc1ccccc1.
What is the InChIKey of N-cyclopropyl-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]benzamide?
The InChIKey is JGLGPFUQOYGTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(22-14-6-9-16-7-2-1-3-8-16)15-23-19-11-5-4-10-18(19)21(26)24-17-12-13-17/h1-5,7-8,10-11,17,23H,6,9,12-15H2,(H,22,25)(H,24,26).
What are the key properties of N-cyclopropyl-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]benzamide?
N-cyclopropyl-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]benzamide has a molecular weight of 351.45 g/mol, XLogP of 2.74, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-oxo-2-(3-phenylpropylamino)ethyl]amino]benzamide is sourced from PubChem (CID 31673829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).