(2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide

C18H28N2O2 — CID 9318759

IUPAC(2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
SMILESCOc1ccc(CN[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc1
InChIInChI=1S/C18H28N2O2/c1-13-6-4-5-7-17(13)20-18(21)14(2)19-12-15-8-10-16(22-3)11-9-15/h8-11,13-14,17,19H,4-7,12H2,1-3H3,(H,20,21)/t13-,14-,17+/m1/s1
InChIKeyUKGWOTUGJAHANM-CPUCHLNUSA-N
MW304.43 g/mol
LogP2.87
Rot. Bonds6

About (2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide

(2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide (PubChem CID 9318759) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
PubChem CID9318759
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide
SMILESCOc1ccc(CN[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc1
InChIInChI=1S/C18H28N2O2/c1-13-6-4-5-7-17(13)20-18(21)14(2)19-12-15-8-10-16(22-3)11-9-15/h8-11,13-14,17,19H,4-7,12H2,1-3H3,(H,20,21)/t13-,14-,17+/m1/s1
InChIKeyUKGWOTUGJAHANM-CPUCHLNUSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide with MolForge

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Related Compounds

2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide
CID 75125584
(4-methoxyphenyl)methyl-methyl-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8557325
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl]azanium
CID 11935746
methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
N-cyclopentyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43083735
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 2556131
N-cyclopropyl-2-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 43086123
ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid
CID 91562631
2-(4-methoxyphenyl)-N-[(1S,2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]cyclohexyl]acetamide
CID 1012646
(2R)-N-(4-acetamidophenyl)-2-[(4-methoxyphenyl)methylamino]propanamide
CID 9322127
N-cyclopropyl-2-[(4-propoxyphenyl)methylamino]propanamide
CID 115672820
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 8843322

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide?
The IUPAC name of (2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide (CID 9318759) is (2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide.
What is the SMILES notation for (2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide?
The canonical SMILES for (2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide is COc1ccc(CN[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cc1.
What is the InChIKey of (2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide?
The InChIKey is UKGWOTUGJAHANM-CPUCHLNUSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-6-4-5-7-17(13)20-18(21)14(2)19-12-15-8-10-16(22-3)11-9-15/h8-11,13-14,17,19H,4-7,12H2,1-3H3,(H,20,21)/t13-,14-,17+/m1/s1.
What are the key properties of (2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide?
(2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methoxyphenyl)methylamino]-N-[(1S,2R)-2-methylcyclohexyl]propanamide is sourced from PubChem (CID 9318759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).