(3R)-3-amino-4-cyclohexyl-2-ethoxy-N-[2-(2-methoxyphenyl)ethyl]butanamide

C21H34N2O3 — CID 146504833

IUPAC(3R)-3-amino-4-cyclohexyl-2-ethoxy-N-[2-(2-methoxyphenyl)ethyl]butanamide
SMILESCCOC(C(=O)NCCc1ccccc1OC)[C@H](N)CC1CCCCC1
InChIInChI=1S/C21H34N2O3/c1-3-26-20(18(22)15-16-9-5-4-6-10-16)21(24)23-14-13-17-11-7-8-12-19(17)25-2/h7-8,11-12,16,18,20H,3-6,9-10,13-15,22H2,1-2H3,(H,23,24)/t18-,20?/m1/s1
InChIKeyPUPULKHNFFBFKB-QSVWIEALSA-N
MW362.51 g/mol
LogP3.06
Rot. Bonds10

About (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-[2-(2-methoxyphenyl)ethyl]butanamide

(3R)-3-amino-4-cyclohexyl-2-ethoxy-N-[2-(2-methoxyphenyl)ethyl]butanamide (PubChem CID 146504833) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-[2-(2-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-2-ethoxy-N-[2-(2-methoxyphenyl)ethyl]butanamide
PubChem CID146504833
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name(3R)-3-amino-4-cyclohexyl-2-ethoxy-N-[2-(2-methoxyphenyl)ethyl]butanamide
SMILESCCOC(C(=O)NCCc1ccccc1OC)[C@H](N)CC1CCCCC1
InChIInChI=1S/C21H34N2O3/c1-3-26-20(18(22)15-16-9-5-4-6-10-16)21(24)23-14-13-17-11-7-8-12-19(17)25-2/h7-8,11-12,16,18,20H,3-6,9-10,13-15,22H2,1-2H3,(H,23,24)/t18-,20?/m1/s1
InChIKeyPUPULKHNFFBFKB-QSVWIEALSA-N
XLogP3.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide
CID 130340204
3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689
1-[(E)-2-cyclohexylethenyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 108912327
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
2-amino-N-[2-(2-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 103808135
2-amino-N-[2-(2-methoxyphenyl)ethyl]pentanamide
CID 113228128
1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 8726213
2-[[(cyclohexylmethylamino)-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111861499
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 45216041
N-[2-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 11708711
2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 106260338
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-[2-(2-methoxyphenyl)ethyl]butanamide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-[2-(2-methoxyphenyl)ethyl]butanamide (CID 146504833) is (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-[2-(2-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-[2-(2-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-[2-(2-methoxyphenyl)ethyl]butanamide is CCOC(C(=O)NCCc1ccccc1OC)[C@H](N)CC1CCCCC1.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-[2-(2-methoxyphenyl)ethyl]butanamide?
The InChIKey is PUPULKHNFFBFKB-QSVWIEALSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-3-26-20(18(22)15-16-9-5-4-6-10-16)21(24)23-14-13-17-11-7-8-12-19(17)25-2/h7-8,11-12,16,18,20H,3-6,9-10,13-15,22H2,1-2H3,(H,23,24)/t18-,20?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-[2-(2-methoxyphenyl)ethyl]butanamide?
(3R)-3-amino-4-cyclohexyl-2-ethoxy-N-[2-(2-methoxyphenyl)ethyl]butanamide has a molecular weight of 362.51 g/mol, XLogP of 3.06, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-[2-(2-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 146504833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).