N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide

C15H24N2O3 — CID 62651972

IUPACN-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCCC(CCN)NC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O3/c1-4-12(7-8-16)17-15(18)10-11-5-6-13(19-2)14(9-11)20-3/h5-6,9,12H,4,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyTZNSRVYIDFGQTQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.49
Rot. Bonds8

About N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide

N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 62651972) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID62651972
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCCC(CCN)NC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C15H24N2O3/c1-4-12(7-8-16)17-15(18)10-11-5-6-13(19-2)14(9-11)20-3/h5-6,9,12H,4,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyTZNSRVYIDFGQTQ-UHFFFAOYSA-N
XLogP1.49
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[2-(3,4-dimethoxyphenyl)acetyl]amino]octanoic acid
CID 57034578
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61121082
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylacetamide
CID 61486905
2-(4-methoxy-3-sulfamoylphenyl)-N-pentan-3-ylacetamide
CID 65374268
N-(1-bromo-3-methoxypropan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 106184806
N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119664954
N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119664953
N-(1-aminopentan-3-yl)-2,4-dimethoxybenzamide
CID 55101251
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236029
methyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]pentanoate
CID 110476823
N-[(3R)-1-[[amino-[cyclohexyl-[2-(3,4-dimethoxyphenyl)acetyl]amino]methylidene]amino]pentan-3-yl]propanamide
CID 175060950
N-(4-amino-1-methoxybutan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 106152212

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide (CID 62651972) is N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide is CCC(CCN)NC(=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is TZNSRVYIDFGQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-4-12(7-8-16)17-15(18)10-11-5-6-13(19-2)14(9-11)20-3/h5-6,9,12H,4,7-8,10,16H2,1-3H3,(H,17,18).
What are the key properties of N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide?
N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-3-yl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 62651972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).