(3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide

C21H34N2O5 — CID 130340204

IUPAC(3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide
SMILESCCOC(C(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@H](N)CC1CCCCC1
InChIInChI=1S/C21H34N2O5/c1-5-28-19(16(22)11-14-9-7-6-8-10-14)21(24)23-15-12-17(25-2)20(27-4)18(13-15)26-3/h12-14,16,19H,5-11,22H2,1-4H3,(H,23,24)/t16-,19?/m1/s1
InChIKeyPVVWAFVQUYDKHL-VTBWFHPJSA-N
MW394.51 g/mol
LogP3.35
Rot. Bonds10

About (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide

(3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide (PubChem CID 130340204) has the molecular formula C21H34N2O5 and a molecular weight of 394.51 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide
PubChem CID130340204
Molecular FormulaC21H34N2O5
Molecular Weight394.51 g/mol
Exact Mass394.25
IUPAC Name(3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide
SMILESCCOC(C(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@H](N)CC1CCCCC1
InChIInChI=1S/C21H34N2O5/c1-5-28-19(16(22)11-14-9-7-6-8-10-14)21(24)23-15-12-17(25-2)20(27-4)18(13-15)26-3/h12-14,16,19H,5-11,22H2,1-4H3,(H,23,24)/t16-,19?/m1/s1
InChIKeyPVVWAFVQUYDKHL-VTBWFHPJSA-N
XLogP3.35
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-amino-4-cyclohexyl-2-ethoxy-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 146504833
3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide
CID 21198770
(3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide
CID 130388233
(3R)-3-amino-4-cyclohexyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propoxybutanamide
CID 70649305
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide
CID 10133507
3-amino-2-methoxy-N-(3,4,5-trimethoxyphenyl)propanamide
CID 106111011
(3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide
CID 70641053
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672
2-amino-4-methyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 24710340
2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 60609505
N-(1-cyclobutylpropan-2-yl)-3,4,5-trimethoxyaniline
CID 115916875
5-[(2S)-1-cyclohexylpropan-2-yl]-1,2,3-trimethoxybenzene
CID 139373079

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide (CID 130340204) is (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide is CCOC(C(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@H](N)CC1CCCCC1.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide?
The InChIKey is PVVWAFVQUYDKHL-VTBWFHPJSA-N. The full InChI is InChI=1S/C21H34N2O5/c1-5-28-19(16(22)11-14-9-7-6-8-10-14)21(24)23-15-12-17(25-2)20(27-4)18(13-15)26-3/h12-14,16,19H,5-11,22H2,1-4H3,(H,23,24)/t16-,19?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide?
(3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide has a molecular weight of 394.51 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide is sourced from PubChem (CID 130340204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).