N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide

C14H22N2O2 — CID 119407461

IUPACN-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(C(C)CC(=O)NCCCN)cc1
InChIInChI=1S/C14H22N2O2/c1-11(10-14(17)16-9-3-8-15)12-4-6-13(18-2)7-5-12/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyCGTPIMAVALXCTI-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.65
Rot. Bonds7

About N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide

N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide (PubChem CID 119407461) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide
PubChem CID119407461
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(C(C)CC(=O)NCCCN)cc1
InChIInChI=1S/C14H22N2O2/c1-11(10-14(17)16-9-3-8-15)12-4-6-13(18-2)7-5-12/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyCGTPIMAVALXCTI-UHFFFAOYSA-N
XLogP1.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide
CID 119995673
N-(4-aminobutyl)-3-(4-aminophenyl)butanamide
CID 104502429
3-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 110297227
3-(4-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]butanamide
CID 110307646
N-(2-aminoethyl)-2-[3-(4-methoxyphenyl)butanoylamino]benzamide
CID 120603471
3-(4-methoxyphenyl)-N-[2-(4-nitrophenyl)ethyl]butanamide
CID 110311190
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
N-(2-aminoethyl)-3-(2-methoxyphenyl)butanamide
CID 119382744
3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide
CID 107317608
N-(3-aminopropyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119406247
N-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119567108
3-acetamido-3-(4-methoxyphenyl)-N-(4-methylpentyl)propanamide
CID 134021990

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide?
The IUPAC name of N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide (CID 119407461) is N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide.
What is the SMILES notation for N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide?
The canonical SMILES for N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide is COc1ccc(C(C)CC(=O)NCCCN)cc1.
What is the InChIKey of N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide?
The InChIKey is CGTPIMAVALXCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(10-14(17)16-9-3-8-15)12-4-6-13(18-2)7-5-12/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide?
N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide has a molecular weight of 250.34 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 119407461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).