N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide

C16H24N2O3 — CID 119496713

IUPACN-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NCCC(C)N)cc1
InChIInChI=1S/C16H24N2O3/c1-12(17)10-11-18-16(20)5-3-4-15(19)13-6-8-14(21-2)9-7-13/h6-9,12H,3-5,10-11,17H2,1-2H3,(H,18,20)
InChIKeyHTGPRPAQAHBHHR-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.90
Rot. Bonds9

About N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide

N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide (PubChem CID 119496713) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide
PubChem CID119496713
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NCCC(C)N)cc1
InChIInChI=1S/C16H24N2O3/c1-12(17)10-11-18-16(20)5-3-4-15(19)13-6-8-14(21-2)9-7-13/h6-9,12H,3-5,10-11,17H2,1-2H3,(H,18,20)
InChIKeyHTGPRPAQAHBHHR-UHFFFAOYSA-N
XLogP1.90
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119496458
N-(3-aminobutyl)-3-(4-methoxyphenyl)propanamide;hydrochloride
CID 119498019
N-(2-amino-2-phenylethyl)-5-(4-methoxyphenyl)-5-oxopentanamide;hydrochloride
CID 119528324
N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110617824
N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
CID 47413820
N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110427199
4-amino-N-[3-(4-methoxyphenyl)propyl]pentanamide
CID 120560980
5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide
CID 55972820
N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110609779
4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide
CID 110418794
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide?
The IUPAC name of N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide (CID 119496713) is N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide.
What is the SMILES notation for N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide?
The canonical SMILES for N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide is COc1ccc(C(=O)CCCC(=O)NCCC(C)N)cc1.
What is the InChIKey of N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide?
The InChIKey is HTGPRPAQAHBHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(17)10-11-18-16(20)5-3-4-15(19)13-6-8-14(21-2)9-7-13/h6-9,12H,3-5,10-11,17H2,1-2H3,(H,18,20).
What are the key properties of N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide?
N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide has a molecular weight of 292.38 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide is sourced from PubChem (CID 119496713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).