(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide

C16H26N2O3 — CID 61166177

IUPAC(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-6-10(2)15(17)16(19)18-11(3)12-7-8-13(20-4)14(9-12)21-5/h7-11,15H,6,17H2,1-5H3,(H,18,19)/t10?,11?,15-/m0/s1
InChIKeyWATNMFWNPGVNCL-NWHVRFAMSA-N
MW294.40 g/mol
LogP2.25
Rot. Bonds7

About (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide

(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide (PubChem CID 61166177) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
PubChem CID61166177
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H26N2O3/c1-6-10(2)15(17)16(19)18-11(3)12-7-8-13(20-4)14(9-12)21-5/h7-11,15H,6,17H2,1-5H3,(H,18,19)/t10?,11?,15-/m0/s1
InChIKeyWATNMFWNPGVNCL-NWHVRFAMSA-N
XLogP2.25
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide
CID 119721222
2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 119736427
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpentanamide
CID 61167349
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81373790
2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 120667278
2-amino-3-methyl-N-(1-naphthalen-2-ylethyl)pentanamide
CID 119685967
(2S,3S)-2-amino-N-[1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 61260006
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81387074
(2S)-2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propanamide
CID 119296501
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide (CID 61166177) is (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide is CCC(C)[C@H](N)C(=O)NC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide?
The InChIKey is WATNMFWNPGVNCL-NWHVRFAMSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-10(2)15(17)16(19)18-11(3)12-7-8-13(20-4)14(9-12)21-5/h7-11,15H,6,17H2,1-5H3,(H,18,19)/t10?,11?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide?
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide has a molecular weight of 294.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide is sourced from PubChem (CID 61166177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).