(E)-N-(2-aminophenyl)-3-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]prop-2-enamide

C24H31N3O — CID 118699488

IUPAC(E)-N-(2-aminophenyl)-3-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]prop-2-enamide
SMILESCN(Cc1ccc(/C=C/C(=O)Nc2ccccc2N)cc1)CC1CCCCC1
InChIInChI=1S/C24H31N3O/c1-27(17-20-7-3-2-4-8-20)18-21-13-11-19(12-14-21)15-16-24(28)26-23-10-6-5-9-22(23)25/h5-6,9-16,20H,2-4,7-8,17-18,25H2,1H3,(H,26,28)/b16-15+
InChIKeyOHSOYUJJGXICCS-FOCLMDBBSA-N
MW377.53 g/mol
LogP4.93
Rot. Bonds7

About (E)-N-(2-aminophenyl)-3-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]prop-2-enamide

(E)-N-(2-aminophenyl)-3-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]prop-2-enamide (PubChem CID 118699488) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is (E)-N-(2-aminophenyl)-3-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminophenyl)-3-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]prop-2-enamide
PubChem CID118699488
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name(E)-N-(2-aminophenyl)-3-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]prop-2-enamide
SMILESCN(Cc1ccc(/C=C/C(=O)Nc2ccccc2N)cc1)CC1CCCCC1
InChIInChI=1S/C24H31N3O/c1-27(17-20-7-3-2-4-8-20)18-21-13-11-19(12-14-21)15-16-24(28)26-23-10-6-5-9-22(23)25/h5-6,9-16,20H,2-4,7-8,17-18,25H2,1H3,(H,26,28)/b16-15+
InChIKeyOHSOYUJJGXICCS-FOCLMDBBSA-N
XLogP4.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-3-[4-[2-(cyclohexylamino)-1-(cyclopropylamino)-2-oxoethyl]phenyl]prop-2-enamide
CID 68513464
N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 69082586
(E)-N-(2-aminophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 20786027
(E)-3-[4-[(1-adamantylmethylamino)methyl]phenyl]-N-(2-aminophenyl)prop-2-enamide
CID 118699503
N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide
CID 54884484
(Z)-N-(2-aminophenyl)-3-[4-[(2-methoxyanilino)methyl]phenyl]prop-2-enamide
CID 66893904
(E)-3-[4-[(1-adamantylamino)methyl]phenyl]-N-(2-aminophenyl)prop-2-enamide
CID 46199541
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
(E)-N-(2-aminophenyl)-3-[4-[(naphthalen-1-ylamino)methyl]phenyl]prop-2-enamide
CID 20785972
N-(2-aminophenyl)-3-[4-[(4-bromoanilino)methyl]phenyl]prop-2-enamide
CID 66893975
N-(2-aminophenyl)-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 85314407
N-(2-aminophenyl)-3-cyclohexyl-2-methylpropanamide
CID 119422452

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminophenyl)-3-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2-aminophenyl)-3-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]prop-2-enamide (CID 118699488) is (E)-N-(2-aminophenyl)-3-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminophenyl)-3-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminophenyl)-3-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]prop-2-enamide is CN(Cc1ccc(/C=C/C(=O)Nc2ccccc2N)cc1)CC1CCCCC1.
What is the InChIKey of (E)-N-(2-aminophenyl)-3-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]prop-2-enamide?
The InChIKey is OHSOYUJJGXICCS-FOCLMDBBSA-N. The full InChI is InChI=1S/C24H31N3O/c1-27(17-20-7-3-2-4-8-20)18-21-13-11-19(12-14-21)15-16-24(28)26-23-10-6-5-9-22(23)25/h5-6,9-16,20H,2-4,7-8,17-18,25H2,1H3,(H,26,28)/b16-15+.
What are the key properties of (E)-N-(2-aminophenyl)-3-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]prop-2-enamide?
(E)-N-(2-aminophenyl)-3-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]prop-2-enamide has a molecular weight of 377.53 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminophenyl)-3-[4-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]prop-2-enamide is sourced from PubChem (CID 118699488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).