2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide

C19H32N2O3 — CID 119736427

IUPAC2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide
SMILESCCCCOc1ccc(C(C)NC(=O)C(N)C(C)CC)cc1OC
InChIInChI=1S/C19H32N2O3/c1-6-8-11-24-16-10-9-15(12-17(16)23-5)14(4)21-19(22)18(20)13(3)7-2/h9-10,12-14,18H,6-8,11,20H2,1-5H3,(H,21,22)
InChIKeyWBULQQJIVQWMIU-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.42
Rot. Bonds10

About 2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide

2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide (PubChem CID 119736427) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide
PubChem CID119736427
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide
SMILESCCCCOc1ccc(C(C)NC(=O)C(N)C(C)CC)cc1OC
InChIInChI=1S/C19H32N2O3/c1-6-8-11-24-16-10-9-15(12-17(16)23-5)14(4)21-19(22)18(20)13(3)7-2/h9-10,12-14,18H,6-8,11,20H2,1-5H3,(H,21,22)
InChIKeyWBULQQJIVQWMIU-UHFFFAOYSA-N
XLogP3.42
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propanamide
CID 119296501
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
2-amino-N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-methylpentanamide
CID 119721222
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119722950
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119722949
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
1-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296520
(2R)-2-amino-2-(4-butoxy-3-methoxyphenyl)acetic acid
CID 7139531
2-[1-(3-methoxy-4-pentoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974995
(2S)-2-amino-N-[1-(4-ethoxyphenyl)ethyl]-3-methylpentanamide
CID 61174084
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propan-1-amine
CID 43279483

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide (CID 119736427) is 2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide is CCCCOc1ccc(C(C)NC(=O)C(N)C(C)CC)cc1OC.
What is the InChIKey of 2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide?
The InChIKey is WBULQQJIVQWMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-6-8-11-24-16-10-9-15(12-17(16)23-5)14(4)21-19(22)18(20)13(3)7-2/h9-10,12-14,18H,6-8,11,20H2,1-5H3,(H,21,22).
What are the key properties of 2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide?
2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide has a molecular weight of 336.48 g/mol, XLogP of 3.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-methylpentanamide is sourced from PubChem (CID 119736427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).