N-(2-aminophenyl)-4-[[1-(cyclopropylmethyl)azepan-4-yl]amino]benzamide;methane

C24H34N4O — CID 157178118

IUPACN-(2-aminophenyl)-4-[[1-(cyclopropylmethyl)azepan-4-yl]amino]benzamide;methane
SMILESC.Nc1ccccc1NC(=O)c1ccc(NC2CCCN(CC3CC3)CC2)cc1
InChIInChI=1S/C23H30N4O.CH4/c24-21-5-1-2-6-22(21)26-23(28)18-9-11-20(12-10-18)25-19-4-3-14-27(15-13-19)16-17-7-8-17;/h1-2,5-6,9-12,17,19,25H,3-4,7-8,13-16,24H2,(H,26,28);1H4
InChIKeyAOGHTULNOYNGHD-UHFFFAOYSA-N
MW394.56 g/mol
LogP4.83
Rot. Bonds6

About N-(2-aminophenyl)-4-[[1-(cyclopropylmethyl)azepan-4-yl]amino]benzamide;methane

N-(2-aminophenyl)-4-[[1-(cyclopropylmethyl)azepan-4-yl]amino]benzamide;methane (PubChem CID 157178118) has the molecular formula C24H34N4O and a molecular weight of 394.56 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[1-(cyclopropylmethyl)azepan-4-yl]amino]benzamide;methane.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[1-(cyclopropylmethyl)azepan-4-yl]amino]benzamide;methane
PubChem CID157178118
Molecular FormulaC24H34N4O
Molecular Weight394.56 g/mol
Exact Mass394.27
IUPAC NameN-(2-aminophenyl)-4-[[1-(cyclopropylmethyl)azepan-4-yl]amino]benzamide;methane
SMILESC.Nc1ccccc1NC(=O)c1ccc(NC2CCCN(CC3CC3)CC2)cc1
InChIInChI=1S/C23H30N4O.CH4/c24-21-5-1-2-6-22(21)26-23(28)18-9-11-20(12-10-18)25-19-4-3-14-27(15-13-19)16-17-7-8-17;/h1-2,5-6,9-12,17,19,25H,3-4,7-8,13-16,24H2,(H,26,28);1H4
InChIKeyAOGHTULNOYNGHD-UHFFFAOYSA-N
XLogP4.83
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[[4-[[1-(cyclohexylmethyl)azepan-4-yl]amino]benzoyl]amino]phenyl]carbamic acid
CID 137365308
N-(2-aminophenyl)-4-[[(3S)-pyrrolidin-3-yl]amino]benzamide;methane
CID 160904181
4-N-(2-aminophenyl)-1-N-(cyclopropylmethyl)benzene-1,4-dicarboxamide
CID 10380630
[2-[[4-[[1-(2,2-dimethylpropyl)piperidin-4-yl]amino]benzoyl]amino]phenyl]carbamic acid
CID 137365323
N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane
CID 160587911
5-N-[1-(cyclopropylmethyl)azepan-4-yl]pyridine-2,5-diamine;hydrochloride
CID 128995369
N-(2-aminophenyl)-4-[[8-(cyclopropylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide;dihydrochloride
CID 138673093
N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide
CID 163507029
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(2-aminophenyl)-4-[[(1-benzylpiperidin-4-yl)methylamino]methyl]benzamide
CID 171354291
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[1-(cyclopropylmethyl)azepan-4-yl]amino]benzamide;methane?
The IUPAC name of N-(2-aminophenyl)-4-[[1-(cyclopropylmethyl)azepan-4-yl]amino]benzamide;methane (CID 157178118) is N-(2-aminophenyl)-4-[[1-(cyclopropylmethyl)azepan-4-yl]amino]benzamide;methane.
What is the SMILES notation for N-(2-aminophenyl)-4-[[1-(cyclopropylmethyl)azepan-4-yl]amino]benzamide;methane?
The canonical SMILES for N-(2-aminophenyl)-4-[[1-(cyclopropylmethyl)azepan-4-yl]amino]benzamide;methane is C.Nc1ccccc1NC(=O)c1ccc(NC2CCCN(CC3CC3)CC2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[1-(cyclopropylmethyl)azepan-4-yl]amino]benzamide;methane?
The InChIKey is AOGHTULNOYNGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O.CH4/c24-21-5-1-2-6-22(21)26-23(28)18-9-11-20(12-10-18)25-19-4-3-14-27(15-13-19)16-17-7-8-17;/h1-2,5-6,9-12,17,19,25H,3-4,7-8,13-16,24H2,(H,26,28);1H4.
What are the key properties of N-(2-aminophenyl)-4-[[1-(cyclopropylmethyl)azepan-4-yl]amino]benzamide;methane?
N-(2-aminophenyl)-4-[[1-(cyclopropylmethyl)azepan-4-yl]amino]benzamide;methane has a molecular weight of 394.56 g/mol, XLogP of 4.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[1-(cyclopropylmethyl)azepan-4-yl]amino]benzamide;methane is sourced from PubChem (CID 157178118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).