N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide

C20H24N4O2 — CID 4042632

IUPACN-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide
SMILESCc1ccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C20H24N4O2/c1-13-4-6-15(7-5-13)22-20(26)23-16-10-11-18(24(2)3)17(12-16)19(25)21-14-8-9-14/h4-7,10-12,14H,8-9H2,1-3H3,(H,21,25)(H2,22,23,26)
InChIKeyACPCLVXPMGRDDG-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.60
Rot. Bonds5

About N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide

N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide (PubChem CID 4042632) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide
PubChem CID4042632
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide
SMILESCc1ccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NC3CC3)c2)cc1
InChIInChI=1S/C20H24N4O2/c1-13-4-6-15(7-5-13)22-20(26)23-16-10-11-18(24(2)3)17(12-16)19(25)21-14-8-9-14/h4-7,10-12,14H,8-9H2,1-3H3,(H,21,25)(H2,22,23,26)
InChIKeyACPCLVXPMGRDDG-UHFFFAOYSA-N
XLogP3.60
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.60
H-Bond Donors ≤ 53
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-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
CID 811772
N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide
CID 5214201
N-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 4015085
N-cyclopropyl-5-[(4-methylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1065596
N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 5024938
5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
CID 42659083
1-[4-(dimethylamino)-3-(pyrrolidine-1-carbonyl)phenyl]-3-(4-methylphenyl)urea
CID 4561226
N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747499
N-cyclopropyl-2-(dimethylamino)-5-[(4-nitrobenzoyl)amino]benzamide
CID 42747482
N-cyclohexyl-5-[(2,4-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)benzamide
CID 4317913
5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
CID 3967282
N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide
CID 42747229

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide?
The IUPAC name of N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide (CID 4042632) is N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide.
What is the SMILES notation for N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide?
The canonical SMILES for N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide is Cc1ccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)NC3CC3)c2)cc1.
What is the InChIKey of N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide?
The InChIKey is ACPCLVXPMGRDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13-4-6-15(7-5-13)22-20(26)23-16-10-11-18(24(2)3)17(12-16)19(25)21-14-8-9-14/h4-7,10-12,14H,8-9H2,1-3H3,(H,21,25)(H2,22,23,26).
What are the key properties of N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide?
N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide has a molecular weight of 352.44 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(dimethylamino)-5-[(4-methylphenyl)carbamoylamino]benzamide is sourced from PubChem (CID 4042632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).