(1S,3R,4R)-3-amino-N-[(3-hydroxyphenyl)methyl]-4-methoxycyclohexane-1-carboxamide

C15H22N2O3 — CID 155500098

IUPAC(1S,3R,4R)-3-amino-N-[(3-hydroxyphenyl)methyl]-4-methoxycyclohexane-1-carboxamide
SMILESCO[C@@H]1CC[C@H](C(=O)NCc2cccc(O)c2)C[C@H]1N
InChIInChI=1S/C15H22N2O3/c1-20-14-6-5-11(8-13(14)16)15(19)17-9-10-3-2-4-12(18)7-10/h2-4,7,11,13-14,18H,5-6,8-9,16H2,1H3,(H,17,19)/t11-,13+,14+/m0/s1
InChIKeyGVIGKAMRGKMPIC-IACUBPJLSA-N
MW278.35 g/mol
LogP1.15
Rot. Bonds4

About (1S,3R,4R)-3-amino-N-[(3-hydroxyphenyl)methyl]-4-methoxycyclohexane-1-carboxamide

(1S,3R,4R)-3-amino-N-[(3-hydroxyphenyl)methyl]-4-methoxycyclohexane-1-carboxamide (PubChem CID 155500098) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (1S,3R,4R)-3-amino-N-[(3-hydroxyphenyl)methyl]-4-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-3-amino-N-[(3-hydroxyphenyl)methyl]-4-methoxycyclohexane-1-carboxamide
PubChem CID155500098
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(1S,3R,4R)-3-amino-N-[(3-hydroxyphenyl)methyl]-4-methoxycyclohexane-1-carboxamide
SMILESCO[C@@H]1CC[C@H](C(=O)NCc2cccc(O)c2)C[C@H]1N
InChIInChI=1S/C15H22N2O3/c1-20-14-6-5-11(8-13(14)16)15(19)17-9-10-3-2-4-12(18)7-10/h2-4,7,11,13-14,18H,5-6,8-9,16H2,1H3,(H,17,19)/t11-,13+,14+/m0/s1
InChIKeyGVIGKAMRGKMPIC-IACUBPJLSA-N
XLogP1.15
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,3R,4R)-3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-4-methoxycyclohexane-1-carboxamide
CID 155496425
(1S,3R,4R)-3-amino-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 155940425
(1S,3R,4R)-3-amino-4-methoxy-N-(2-phenylmethoxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 155940396
(1S,3R,4R)-3-amino-4-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 155507572
3-[[[(1S,3R,4R)-3-amino-4-hydroxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide
CID 155496364
(1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide
CID 154816431
(1S,3R,4R)-3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxycyclohexane-1-carboxamide
CID 155498362
4-amino-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 60912945
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
(1S,3R,4R)-3-amino-N-(1,3-benzodioxol-5-ylmethyl)-4-propoxycyclohexane-1-carboxamide
CID 155495656
N-[(1R,2R,5S)-2-methoxy-5-[(3-methoxyphenyl)methylcarbamoyl]cyclohexyl]-1H-pyrrole-3-carboxamide
CID 155918740
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride
CID 119719918

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-amino-N-[(3-hydroxyphenyl)methyl]-4-methoxycyclohexane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-3-amino-N-[(3-hydroxyphenyl)methyl]-4-methoxycyclohexane-1-carboxamide (CID 155500098) is (1S,3R,4R)-3-amino-N-[(3-hydroxyphenyl)methyl]-4-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-3-amino-N-[(3-hydroxyphenyl)methyl]-4-methoxycyclohexane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-3-amino-N-[(3-hydroxyphenyl)methyl]-4-methoxycyclohexane-1-carboxamide is CO[C@@H]1CC[C@H](C(=O)NCc2cccc(O)c2)C[C@H]1N.
What is the InChIKey of (1S,3R,4R)-3-amino-N-[(3-hydroxyphenyl)methyl]-4-methoxycyclohexane-1-carboxamide?
The InChIKey is GVIGKAMRGKMPIC-IACUBPJLSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-14-6-5-11(8-13(14)16)15(19)17-9-10-3-2-4-12(18)7-10/h2-4,7,11,13-14,18H,5-6,8-9,16H2,1H3,(H,17,19)/t11-,13+,14+/m0/s1.
What are the key properties of (1S,3R,4R)-3-amino-N-[(3-hydroxyphenyl)methyl]-4-methoxycyclohexane-1-carboxamide?
(1S,3R,4R)-3-amino-N-[(3-hydroxyphenyl)methyl]-4-methoxycyclohexane-1-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-amino-N-[(3-hydroxyphenyl)methyl]-4-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 155500098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).