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

C16H26N2O3 — CID 43699664

IUPAC2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C16H26N2O3/c1-6-10(2)15(17)16(19)18-11(3)13-8-7-12(20-4)9-14(13)21-5/h7-11,15H,6,17H2,1-5H3,(H,18,19)
InChIKeyLBYPOBYWRSFYJY-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.25
Rot. Bonds7

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

2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide (PubChem CID 43699664) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
PubChem CID43699664
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C16H26N2O3/c1-6-10(2)15(17)16(19)18-11(3)13-8-7-12(20-4)9-14(13)21-5/h7-11,15H,6,17H2,1-5H3,(H,18,19)
InChIKeyLBYPOBYWRSFYJY-UHFFFAOYSA-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

(2R)-2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 79011400
(2S,3S)-2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81387074
(2S,3S)-2-amino-N-[1-(2-methoxyphenyl)ethyl]-3-methylpentanamide
CID 61260006
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3-methylpentanamide
CID 22690883
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81373790
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
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
(2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide
CID 61174084
1-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65465281

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide (CID 43699664) is 2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NC(C)c1ccc(OC)cc1OC.
What is the InChIKey of 2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide?
The InChIKey is LBYPOBYWRSFYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-10(2)15(17)16(19)18-11(3)13-8-7-12(20-4)9-14(13)21-5/h7-11,15H,6,17H2,1-5H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide?
2-amino-N-[1-(2,4-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 2-amino-N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylpentanamide is sourced from PubChem (CID 43699664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).