N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide

C21H25N3O2 — CID 42747499

IUPACN-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
SMILESCN(C)c1ccc(NC(=O)CCc2ccccc2)cc1C(=O)NC1CC1
InChIInChI=1S/C21H25N3O2/c1-24(2)19-12-11-17(14-18(19)21(26)23-16-9-10-16)22-20(25)13-8-15-6-4-3-5-7-15/h3-7,11-12,14,16H,8-10,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyVXPWDRHIOISLPD-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.22
Rot. Bonds7

About N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide

N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide (PubChem CID 42747499) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
PubChem CID42747499
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
SMILESCN(C)c1ccc(NC(=O)CCc2ccccc2)cc1C(=O)NC1CC1
InChIInChI=1S/C21H25N3O2/c1-24(2)19-12-11-17(14-18(19)21(26)23-16-9-10-16)22-20(25)13-8-15-6-4-3-5-7-15/h3-7,11-12,14,16H,8-10,13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyVXPWDRHIOISLPD-UHFFFAOYSA-N
XLogP3.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide
CID 42747229
N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
CID 811772
2-(dimethylamino)-N-(2-methylpropyl)-5-(3-phenylpropanoylamino)benzamide
CID 42747211
N-[2-(diethylamino)ethyl]-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747663
N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide
CID 1064549
5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
CID 3967282
2-chloro-5-[3-(3-chlorophenyl)propanoylamino]-N-cyclopropylbenzamide
CID 87026452
N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide
CID 4042632
2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide
CID 60540414
2-(dimethylamino)-5-[3-[4-(5-phenylpentoxy)phenyl]propanoylamino]benzoic acid
CID 10205705
5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
CID 42659083
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54833006

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide?
The IUPAC name of N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide (CID 42747499) is N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide?
The canonical SMILES for N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide is CN(C)c1ccc(NC(=O)CCc2ccccc2)cc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide?
The InChIKey is VXPWDRHIOISLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-24(2)19-12-11-17(14-18(19)21(26)23-16-9-10-16)22-20(25)13-8-15-6-4-3-5-7-15/h3-7,11-12,14,16H,8-10,13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide?
N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide is sourced from PubChem (CID 42747499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).