N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide

C23H29N3O2 — CID 42747229

IUPACN-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide
SMILESCN(C)c1ccc(NC(=O)Cc2ccccc2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C23H29N3O2/c1-26(2)21-14-13-19(24-22(27)15-17-9-5-3-6-10-17)16-20(21)23(28)25-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,16,18H,4,7-8,11-12,15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyXKNPPBISNCFUAH-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.00
Rot. Bonds6

About N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide

N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide (PubChem CID 42747229) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide
PubChem CID42747229
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide
SMILESCN(C)c1ccc(NC(=O)Cc2ccccc2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C23H29N3O2/c1-26(2)21-14-13-19(24-22(27)15-17-9-5-3-6-10-17)16-20(21)23(28)25-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,16,18H,4,7-8,11-12,15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyXKNPPBISNCFUAH-UHFFFAOYSA-N
XLogP4.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.00
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-phenylsulfanylacetyl)amino]benzamide
CID 1064549
N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747499
N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
CID 811772
N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide
CID 5214201
N-cyclohexyl-5-[(2,4-dichlorobenzoyl)amino]-2-(dimethylamino)benzamide
CID 42747228
N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 5024938
2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide
CID 60540414
N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide
CID 4042632
N-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide
CID 4317913
5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
CID 42659083
5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
CID 3967282
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide?
The IUPAC name of N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide (CID 42747229) is N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide.
What is the SMILES notation for N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide?
The canonical SMILES for N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide is CN(C)c1ccc(NC(=O)Cc2ccccc2)cc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide?
The InChIKey is XKNPPBISNCFUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-26(2)21-14-13-19(24-22(27)15-17-9-5-3-6-10-17)16-20(21)23(28)25-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,16,18H,4,7-8,11-12,15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide?
N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide has a molecular weight of 379.50 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide is sourced from PubChem (CID 42747229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).