(1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide

C18H26N2O3 — CID 155496623

IUPAC(1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1cccc(CN(C(=O)[C@H]2CC[C@H](N)[C@@H](O)C2)C2CC2)c1
InChIInChI=1S/C18H26N2O3/c1-23-15-4-2-3-12(9-15)11-20(14-6-7-14)18(22)13-5-8-16(19)17(21)10-13/h2-4,9,13-14,16-17,21H,5-8,10-11,19H2,1H3/t13-,16-,17-/m0/s1
InChIKeyXSRAPMBHGBVATA-JQFCIGGWSA-N
MW318.42 g/mol
LogP1.67
Rot. Bonds5

About (1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide

(1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 155496623) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID155496623
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1cccc(CN(C(=O)[C@H]2CC[C@H](N)[C@@H](O)C2)C2CC2)c1
InChIInChI=1S/C18H26N2O3/c1-23-15-4-2-3-12(9-15)11-20(14-6-7-14)18(22)13-5-8-16(19)17(21)10-13/h2-4,9,13-14,16-17,21H,5-8,10-11,19H2,1H3/t13-,16-,17-/m0/s1
InChIKeyXSRAPMBHGBVATA-JQFCIGGWSA-N
XLogP1.67
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66009589
(1R,3R,4S)-N-cyclopropyl-4-hydroxy-N-[(3-hydroxyphenyl)methyl]-3-methoxycyclohexane-1-carboxamide
CID 135119364
1-cyclopropyl-2-[(3-methoxyphenyl)methyl-methylamino]ethanone
CID 63912379
3-amino-N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 119753278
4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 60939318
N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide
CID 42378699
2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420564
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide
CID 114997619
N-[5-(1,4-diazepane-1-carbonyl)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-[(3-methoxyphenyl)methyl]cyclopropanecarboxamide
CID 23961246
3-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119719111
[3-[[acetyl(cyclopropyl)amino]methyl]phenyl] methanesulfonate
CID 42669661

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of (1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide (CID 155496623) is (1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for (1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for (1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide is COc1cccc(CN(C(=O)[C@H]2CC[C@H](N)[C@@H](O)C2)C2CC2)c1.
What is the InChIKey of (1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is XSRAPMBHGBVATA-JQFCIGGWSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-15-4-2-3-12(9-15)11-20(14-6-7-14)18(22)13-5-8-16(19)17(21)10-13/h2-4,9,13-14,16-17,21H,5-8,10-11,19H2,1H3/t13-,16-,17-/m0/s1.
What are the key properties of (1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide?
(1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-4-amino-N-cyclopropyl-3-hydroxy-N-[(3-methoxyphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 155496623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).