N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide

C19H22N4O2 — CID 811772

IUPACN-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
SMILESCN(C)c1ccc(NC(=O)Nc2ccccc2)cc1C(=O)NC1CC1
InChIInChI=1S/C19H22N4O2/c1-23(2)17-11-10-15(12-16(17)18(24)20-14-8-9-14)22-19(25)21-13-6-4-3-5-7-13/h3-7,10-12,14H,8-9H2,1-2H3,(H,20,24)(H2,21,22,25)
InChIKeyGJGNCBIMDUNNCY-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.29
Rot. Bonds5

About N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide

N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide (PubChem CID 811772) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
PubChem CID811772
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
SMILESCN(C)c1ccc(NC(=O)Nc2ccccc2)cc1C(=O)NC1CC1
InChIInChI=1S/C19H22N4O2/c1-23(2)17-11-10-15(12-16(17)18(24)20-14-8-9-14)22-19(25)21-13-6-4-3-5-7-13/h3-7,10-12,14H,8-9H2,1-2H3,(H,20,24)(H2,21,22,25)
InChIKeyGJGNCBIMDUNNCY-UHFFFAOYSA-N
XLogP3.29
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.29
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-[(4-methylphenyl)carbamoylamino]benzamide
CID 4042632
N-cyclopropyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 4015085
N-cyclohexyl-2-(dimethylamino)-5-[(3,4-dimethylphenyl)carbamoylamino]benzamide
CID 5214201
N-cyclopropyl-2-(dimethylamino)-5-(3-phenylpropanoylamino)benzamide
CID 42747499
N-cyclohexyl-2-(dimethylamino)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 5024938
N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylacetyl)amino]benzamide
CID 42747229
5-[(3-bromobenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
CID 42659083
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
N-cyclohexyl-2-(dimethylamino)-5-[(2-phenylsulfanylacetyl)amino]benzamide
CID 1064549
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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide (CID 811772) is N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide is CN(C)c1ccc(NC(=O)Nc2ccccc2)cc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide?
The InChIKey is GJGNCBIMDUNNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-23(2)17-11-10-15(12-16(17)18(24)20-14-8-9-14)22-19(25)21-13-6-4-3-5-7-13/h3-7,10-12,14H,8-9H2,1-2H3,(H,20,24)(H2,21,22,25).
What are the key properties of N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide?
N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.29, 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-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 811772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).