N-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide

C16H18N4O — CID 142011428

IUPACN-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide
SMILESCN(C)c1cccc(/N=C(\N)NC(=O)c2ccccc2)c1
InChIInChI=1S/C16H18N4O/c1-20(2)14-10-6-9-13(11-14)18-16(17)19-15(21)12-7-4-3-5-8-12/h3-11H,1-2H3,(H3,17,18,19,21)
InChIKeyDAAKXLIFKNZRDR-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.13
Rot. Bonds3

About N-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide

N-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide (PubChem CID 142011428) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide.

Molecular Properties

Compound NameN-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide
PubChem CID142011428
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide
SMILESCN(C)c1cccc(/N=C(\N)NC(=O)c2ccccc2)c1
InChIInChI=1S/C16H18N4O/c1-20(2)14-10-6-9-13(11-14)18-16(17)19-15(21)12-7-4-3-5-8-12/h3-11H,1-2H3,(H3,17,18,19,21)
InChIKeyDAAKXLIFKNZRDR-UHFFFAOYSA-N
XLogP2.13
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(dimethylamino)phenyl]benzenecarboximidamide
CID 113297943
N-[N'-(3-hydroxy-4-methoxyphenyl)carbamimidoyl]benzamide
CID 142011793
N-[N'-(2-methyl-3H-benzimidazol-5-yl)carbamimidoyl]benzamide
CID 142011119
N,N-dimethyl-3-phenyldiazenylaniline;formamide
CID 175320488
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
N-(4-carbamothioylphenyl)-3-(dimethylamino)benzamide
CID 43329185
N-[3-[[amino(phenyl)methylidene]amino]phenyl]benzamide
CID 139891874
1-[(E)-[[4-(dimethylamino)phenyl]-phenylmethylidene]amino]-2-phenylguanidine
CID 10043892
3-(1-aminoethylideneamino)benzoic acid
CID 10775025
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3-(dimethylamino)benzamide
CID 55102085
N-[N'-(4-methylquinazolin-2-yl)carbamimidoyl]benzamide
CID 135436000
N-carbamoylbenzamide;urea
CID 157303801

Frequently Asked Questions

What is the IUPAC name of N-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide?
The IUPAC name of N-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide (CID 142011428) is N-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide.
What is the SMILES notation for N-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide?
The canonical SMILES for N-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide is CN(C)c1cccc(/N=C(\N)NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide?
The InChIKey is DAAKXLIFKNZRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-20(2)14-10-6-9-13(11-14)18-16(17)19-15(21)12-7-4-3-5-8-12/h3-11H,1-2H3,(H3,17,18,19,21).
What are the key properties of N-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide?
N-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide has a molecular weight of 282.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide is sourced from PubChem (CID 142011428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).