(2R)-2-methoxy-N-[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]-2-phenyl-N-propylacetamide

C25H33NO3 — CID 10430814

IUPAC(2R)-2-methoxy-N-[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]-2-phenyl-N-propylacetamide
SMILESCCCN(C(=O)[C@H](OC)c1ccccc1)[C@@H]1CCCC[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C25H33NO3/c1-4-17-26(25(27)24(29-3)19-11-6-5-7-12-19)23-16-9-8-15-22(23)20-13-10-14-21(18-20)28-2/h5-7,10-14,18,22-24H,4,8-9,15-17H2,1-3H3/t22-,23-,24-/m1/s1
InChIKeyKWNHTROLBRACMG-WXFUMESZSA-N
MW395.54 g/mol
LogP5.35
Rot. Bonds8

About (2R)-2-methoxy-N-[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]-2-phenyl-N-propylacetamide

(2R)-2-methoxy-N-[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]-2-phenyl-N-propylacetamide (PubChem CID 10430814) has the molecular formula C25H33NO3 and a molecular weight of 395.54 g/mol. Its IUPAC name is (2R)-2-methoxy-N-[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]-2-phenyl-N-propylacetamide.

Molecular Properties

Compound Name(2R)-2-methoxy-N-[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]-2-phenyl-N-propylacetamide
PubChem CID10430814
Molecular FormulaC25H33NO3
Molecular Weight395.54 g/mol
Exact Mass395.25
IUPAC Name(2R)-2-methoxy-N-[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]-2-phenyl-N-propylacetamide
SMILESCCCN(C(=O)[C@H](OC)c1ccccc1)[C@@H]1CCCC[C@@H]1c1cccc(OC)c1
InChIInChI=1S/C25H33NO3/c1-4-17-26(25(27)24(29-3)19-11-6-5-7-12-19)23-16-9-8-15-22(23)20-13-10-14-21(18-20)28-2/h5-7,10-14,18,22-24H,4,8-9,15-17H2,1-3H3/t22-,23-,24-/m1/s1
InChIKeyKWNHTROLBRACMG-WXFUMESZSA-N
XLogP5.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.54
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2R)-2-(3-methoxyphenyl)-N,N-dipropylcyclohexan-1-amine
CID 10469444
N-(2-aminoethyl)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 63753347
2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid
CID 84746584
N-(3-aminopropyl)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 62103976
ethyl 2-(3-methoxyphenoxy)-2-phenylacetate
CID 117065644
2-(3-methoxyphenyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020565
[2-(3-methoxyphenyl)cyclohexyl]methanamine
CID 10443420
1-[(1S,2R)-2-(3-methoxyphenyl)cyclohexyl]-N,N-dimethylmethanamine;hydrochloride
CID 22883942
2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-methoxyphenyl)-N-methylacetamide
CID 13055743
3-cyclopentyl-2-(3-methoxyphenyl)propanoic acid
CID 22315267
2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058402
2-(3-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 62603851

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-N-[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]-2-phenyl-N-propylacetamide?
The IUPAC name of (2R)-2-methoxy-N-[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]-2-phenyl-N-propylacetamide (CID 10430814) is (2R)-2-methoxy-N-[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]-2-phenyl-N-propylacetamide.
What is the SMILES notation for (2R)-2-methoxy-N-[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]-2-phenyl-N-propylacetamide?
The canonical SMILES for (2R)-2-methoxy-N-[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]-2-phenyl-N-propylacetamide is CCCN(C(=O)[C@H](OC)c1ccccc1)[C@@H]1CCCC[C@@H]1c1cccc(OC)c1.
What is the InChIKey of (2R)-2-methoxy-N-[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]-2-phenyl-N-propylacetamide?
The InChIKey is KWNHTROLBRACMG-WXFUMESZSA-N. The full InChI is InChI=1S/C25H33NO3/c1-4-17-26(25(27)24(29-3)19-11-6-5-7-12-19)23-16-9-8-15-22(23)20-13-10-14-21(18-20)28-2/h5-7,10-14,18,22-24H,4,8-9,15-17H2,1-3H3/t22-,23-,24-/m1/s1.
What are the key properties of (2R)-2-methoxy-N-[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]-2-phenyl-N-propylacetamide?
(2R)-2-methoxy-N-[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]-2-phenyl-N-propylacetamide has a molecular weight of 395.54 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-N-[(1R,2R)-2-(3-methoxyphenyl)cyclohexyl]-2-phenyl-N-propylacetamide is sourced from PubChem (CID 10430814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).