N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide

C15H24N2O2 — CID 65191439

IUPACN-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCCCC(CN)NC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O2/c1-3-4-13(11-16)17-15(18)10-7-12-5-8-14(19-2)9-6-12/h5-6,8-9,13H,3-4,7,10-11,16H2,1-2H3,(H,17,18)
InChIKeyCTKLKXKGUXXUDO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.87
Rot. Bonds8

About N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide

N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide (PubChem CID 65191439) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide
PubChem CID65191439
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide
SMILESCCCC(CN)NC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C15H24N2O2/c1-3-4-13(11-16)17-15(18)10-7-12-5-8-14(19-2)9-6-12/h5-6,8-9,13H,3-4,7,10-11,16H2,1-2H3,(H,17,18)
InChIKeyCTKLKXKGUXXUDO-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(4-methoxyphenyl)propanoylamino]pentanoic acid
CID 107563743
N-(1-aminohexan-2-yl)-3-(3-methoxyphenyl)propanamide;hydrochloride
CID 119668074
N-[(2S)-1-hydroxybutan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 93032401
N-(4-aminobutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 62093484
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
N-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 114155384
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
N-(1-aminopentan-2-yl)-2-phenylacetamide
CID 65191478
N-(5-amino-4-methylpentyl)-3-(4-methoxyphenyl)propanamide
CID 106153300
N-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide
CID 103722806
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]butanedioic acid
CID 112732957
N-(1-hydroxy-3-methylbutan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 79256223

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide (CID 65191439) is N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide is CCCC(CN)NC(=O)CCc1ccc(OC)cc1.
What is the InChIKey of N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is CTKLKXKGUXXUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-4-13(11-16)17-15(18)10-7-12-5-8-14(19-2)9-6-12/h5-6,8-9,13H,3-4,7,10-11,16H2,1-2H3,(H,17,18).
What are the key properties of N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide?
N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 264.37 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 65191439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).