N-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide

C14H22N2O2 — CID 112513422

IUPACN-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide
SMILESCCC(N)CCc1ccc(OC)c(NC(C)=O)c1
InChIInChI=1S/C14H22N2O2/c1-4-12(15)7-5-11-6-8-14(18-3)13(9-11)16-10(2)17/h6,8-9,12H,4-5,7,15H2,1-3H3,(H,16,17)
InChIKeyVVUPNTYAURGAKT-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.32
Rot. Bonds6

About N-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide

N-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide (PubChem CID 112513422) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide
PubChem CID112513422
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide
SMILESCCC(N)CCc1ccc(OC)c(NC(C)=O)c1
InChIInChI=1S/C14H22N2O2/c1-4-12(15)7-5-11-6-8-14(18-3)13(9-11)16-10(2)17/h6,8-9,12H,4-5,7,15H2,1-3H3,(H,16,17)
InChIKeyVVUPNTYAURGAKT-UHFFFAOYSA-N
XLogP2.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(3-cyanopropyl)-2-methoxyphenyl]acetamide
CID 96660405
(2S,3S)-2-amino-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-3-methylpentanamide
CID 61178895
N-[(3-acetamido-4-methoxyphenyl)methyl]propanamide
CID 110783895
N-[5-[2-(cyclopropylamino)ethyl]-2-methoxyphenyl]acetamide
CID 98015785
ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate
CID 23533716
N-(5-ethyl-2-methoxyphenyl)-2-(hydroxymethyl)-3-methylbutanamide
CID 115187160
N-[5-(1-amino-4-methylpentan-3-yl)-2-methoxyphenyl]acetamide
CID 112514061
N-(5-acetamido-2-methoxyphenyl)-2-aminohexanamide
CID 60853865
N-[5-[[[amino-(3-methylbutylamino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide
CID 111094514
N-[(3-acetamido-4-methoxyphenyl)methyl]-2-chloroacetamide
CID 13465084
N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide
CID 119278958
[4-[(3S)-3-aminopentyl]phenyl] acetate
CID 70393777

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide (CID 112513422) is N-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide is CCC(N)CCc1ccc(OC)c(NC(C)=O)c1.
What is the InChIKey of N-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide?
The InChIKey is VVUPNTYAURGAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-12(15)7-5-11-6-8-14(18-3)13(9-11)16-10(2)17/h6,8-9,12H,4-5,7,15H2,1-3H3,(H,16,17).
What are the key properties of N-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide?
N-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide has a molecular weight of 250.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminopentyl)-2-methoxyphenyl]acetamide is sourced from PubChem (CID 112513422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).