(2R)-3-cyclohexyl-N-[(3-ethanehydrazonoylphenyl)methyl]-2-methylpropanamide;methanamine

C20H34N4O — CID 144669385

IUPAC(2R)-3-cyclohexyl-N-[(3-ethanehydrazonoylphenyl)methyl]-2-methylpropanamide;methanamine
SMILESC/C(=N\N)c1cccc(CNC(=O)[C@H](C)CC2CCCCC2)c1.CN
InChIInChI=1S/C19H29N3O.CH5N/c1-14(11-16-7-4-3-5-8-16)19(23)21-13-17-9-6-10-18(12-17)15(2)22-20;1-2/h6,9-10,12,14,16H,3-5,7-8,11,13,20H2,1-2H3,(H,21,23);2H2,1H3/b22-15+;/t14-;/m1./s1
InChIKeyMNSLYYUUGDIRAQ-ICYSGURNSA-N
MW346.52 g/mol
LogP3.17
Rot. Bonds6

About (2R)-3-cyclohexyl-N-[(3-ethanehydrazonoylphenyl)methyl]-2-methylpropanamide;methanamine

(2R)-3-cyclohexyl-N-[(3-ethanehydrazonoylphenyl)methyl]-2-methylpropanamide;methanamine (PubChem CID 144669385) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is (2R)-3-cyclohexyl-N-[(3-ethanehydrazonoylphenyl)methyl]-2-methylpropanamide;methanamine.

Molecular Properties

Compound Name(2R)-3-cyclohexyl-N-[(3-ethanehydrazonoylphenyl)methyl]-2-methylpropanamide;methanamine
PubChem CID144669385
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name(2R)-3-cyclohexyl-N-[(3-ethanehydrazonoylphenyl)methyl]-2-methylpropanamide;methanamine
SMILESC/C(=N\N)c1cccc(CNC(=O)[C@H](C)CC2CCCCC2)c1.CN
InChIInChI=1S/C19H29N3O.CH5N/c1-14(11-16-7-4-3-5-8-16)19(23)21-13-17-9-6-10-18(12-17)15(2)22-20;1-2/h6,9-10,12,14,16H,3-5,7-8,11,13,20H2,1-2H3,(H,21,23);2H2,1H3/b22-15+;/t14-;/m1./s1
InChIKeyMNSLYYUUGDIRAQ-ICYSGURNSA-N
XLogP3.17
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-cyclopropyl-2-methylpropanamide
CID 11218218
3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride
CID 21199079
3-[[(3-amino-2-methylpropanoyl)amino]methyl]benzamide
CID 62669665
N-(2-aminophenyl)-3-cyclohexyl-2-methylpropanamide
CID 119422452
(2R)-N-[(2S)-1-[[4-(aminomethyl)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]-3-cyclohexyl-2-(propanoylamino)propanamide
CID 71185589
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-cyclopropylbenzamide;hydrochloride
CID 119296114
4-[4-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]phenoxy]butanoic acid
CID 119247037
N-(3-aminopropyl)-3-cyclohexyl-2-methylpropanamide
CID 119407411
3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 119751901
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 79506370
5-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110600

Frequently Asked Questions

What is the IUPAC name of (2R)-3-cyclohexyl-N-[(3-ethanehydrazonoylphenyl)methyl]-2-methylpropanamide;methanamine?
The IUPAC name of (2R)-3-cyclohexyl-N-[(3-ethanehydrazonoylphenyl)methyl]-2-methylpropanamide;methanamine (CID 144669385) is (2R)-3-cyclohexyl-N-[(3-ethanehydrazonoylphenyl)methyl]-2-methylpropanamide;methanamine.
What is the SMILES notation for (2R)-3-cyclohexyl-N-[(3-ethanehydrazonoylphenyl)methyl]-2-methylpropanamide;methanamine?
The canonical SMILES for (2R)-3-cyclohexyl-N-[(3-ethanehydrazonoylphenyl)methyl]-2-methylpropanamide;methanamine is C/C(=N\N)c1cccc(CNC(=O)[C@H](C)CC2CCCCC2)c1.CN.
What is the InChIKey of (2R)-3-cyclohexyl-N-[(3-ethanehydrazonoylphenyl)methyl]-2-methylpropanamide;methanamine?
The InChIKey is MNSLYYUUGDIRAQ-ICYSGURNSA-N. The full InChI is InChI=1S/C19H29N3O.CH5N/c1-14(11-16-7-4-3-5-8-16)19(23)21-13-17-9-6-10-18(12-17)15(2)22-20;1-2/h6,9-10,12,14,16H,3-5,7-8,11,13,20H2,1-2H3,(H,21,23);2H2,1H3/b22-15+;/t14-;/m1./s1.
What are the key properties of (2R)-3-cyclohexyl-N-[(3-ethanehydrazonoylphenyl)methyl]-2-methylpropanamide;methanamine?
(2R)-3-cyclohexyl-N-[(3-ethanehydrazonoylphenyl)methyl]-2-methylpropanamide;methanamine has a molecular weight of 346.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-cyclohexyl-N-[(3-ethanehydrazonoylphenyl)methyl]-2-methylpropanamide;methanamine is sourced from PubChem (CID 144669385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).