4-amino-N-(2-methoxypropyl)-4-phenylbutanamide

C14H22N2O2 — CID 102695108

IUPAC4-amino-N-(2-methoxypropyl)-4-phenylbutanamide
SMILESCOC(C)CNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(18-2)10-16-14(17)9-8-13(15)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyFNCHPPMRXZJCAD-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.62
Rot. Bonds7

About 4-amino-N-(2-methoxypropyl)-4-phenylbutanamide

4-amino-N-(2-methoxypropyl)-4-phenylbutanamide (PubChem CID 102695108) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N-(2-methoxypropyl)-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxypropyl)-4-phenylbutanamide
PubChem CID102695108
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-N-(2-methoxypropyl)-4-phenylbutanamide
SMILESCOC(C)CNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-11(18-2)10-16-14(17)9-8-13(15)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17)
InChIKeyFNCHPPMRXZJCAD-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
CID 63324390
4-amino-N-(2-methoxypropyl)pentanamide
CID 102694842
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363
N'-(2-methoxypropyl)-1-phenylpropane-1,3-diamine
CID 102698624
methyl 2-[(4-amino-4-phenylbutanoyl)amino]-3-methylbutanoate
CID 63324348
4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011430
4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide
CID 63323905
4-amino-4-phenyl-N-prop-2-enylbutanamide
CID 63323887
4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
CID 63323993
4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide
CID 114332251
methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951074
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
CID 63323848

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxypropyl)-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(2-methoxypropyl)-4-phenylbutanamide (CID 102695108) is 4-amino-N-(2-methoxypropyl)-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(2-methoxypropyl)-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(2-methoxypropyl)-4-phenylbutanamide is COC(C)CNC(=O)CCC(N)c1ccccc1.
What is the InChIKey of 4-amino-N-(2-methoxypropyl)-4-phenylbutanamide?
The InChIKey is FNCHPPMRXZJCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(18-2)10-16-14(17)9-8-13(15)12-6-4-3-5-7-12/h3-7,11,13H,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-(2-methoxypropyl)-4-phenylbutanamide?
4-amino-N-(2-methoxypropyl)-4-phenylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxypropyl)-4-phenylbutanamide is sourced from PubChem (CID 102695108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).