N-[2-(methylamino)propyl]-4-phenoxybutanamide

C14H22N2O2 — CID 120827212

IUPACN-[2-(methylamino)propyl]-4-phenoxybutanamide
SMILESCNC(C)CNC(=O)CCCOc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-12(15-2)11-16-14(17)9-6-10-18-13-7-4-3-5-8-13/h3-5,7-8,12,15H,6,9-11H2,1-2H3,(H,16,17)
InChIKeyWEKUPSTUYZOVLV-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.57
Rot. Bonds8

About N-[2-(methylamino)propyl]-4-phenoxybutanamide

N-[2-(methylamino)propyl]-4-phenoxybutanamide (PubChem CID 120827212) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-4-phenoxybutanamide
PubChem CID120827212
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-(methylamino)propyl]-4-phenoxybutanamide
SMILESCNC(C)CNC(=O)CCCOc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-12(15-2)11-16-14(17)9-6-10-18-13-7-4-3-5-8-13/h3-5,7-8,12,15H,6,9-11H2,1-2H3,(H,16,17)
InChIKeyWEKUPSTUYZOVLV-UHFFFAOYSA-N
XLogP1.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.57
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-[(2S)-2-hydroxypropyl]-4-phenoxybutanamide
CID 83030039
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
CID 120651118
2-methyl-3-(4-phenoxybutanoylamino)propanoic acid
CID 62676928
N-(2-aminopropyl)-4-phenoxybutanamide
CID 82354182
N-[2-(methylamino)propyl]-2-(2-phenoxyethoxy)acetamide;hydrochloride
CID 120831954
2-methoxy-3-(4-phenoxybutanoylamino)propanoic acid
CID 106107518
N-(2,3-dihydroxypropyl)-4-phenoxybutanamide
CID 66176649
N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide
CID 107261214
3-methoxy-4-(4-phenoxybutanoylamino)butanoic acid
CID 103152721
4-(4-bromophenoxy)-N-[(2R)-2-phenylpropyl]butanamide
CID 9302251
N-[2-(methylamino)propyl]-3-(2-phenylphenoxy)propanamide
CID 120832016
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-(methylamino)propyl]-4-phenoxybutanamide (CID 120827212) is N-[2-(methylamino)propyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-(methylamino)propyl]-4-phenoxybutanamide is CNC(C)CNC(=O)CCCOc1ccccc1.
What is the InChIKey of N-[2-(methylamino)propyl]-4-phenoxybutanamide?
The InChIKey is WEKUPSTUYZOVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-12(15-2)11-16-14(17)9-6-10-18-13-7-4-3-5-8-13/h3-5,7-8,12,15H,6,9-11H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(methylamino)propyl]-4-phenoxybutanamide?
N-[2-(methylamino)propyl]-4-phenoxybutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-4-phenoxybutanamide is sourced from PubChem (CID 120827212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).