3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide

C20H26N2O2 — CID 119689348

IUPAC3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
SMILESCCC(NC(=O)C(C)C(N)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O2/c1-4-18(15-10-12-17(24-3)13-11-15)22-20(23)14(2)19(21)16-8-6-5-7-9-16/h5-14,18-19H,4,21H2,1-3H3,(H,22,23)
InChIKeyJMTBELVQIDKBRP-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.60
Rot. Bonds7

About 3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide

3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide (PubChem CID 119689348) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
PubChem CID119689348
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
SMILESCCC(NC(=O)C(C)C(N)c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H26N2O2/c1-4-18(15-10-12-17(24-3)13-11-15)22-20(23)14(2)19(21)16-8-6-5-7-9-16/h5-14,18-19H,4,21H2,1-3H3,(H,22,23)
InChIKeyJMTBELVQIDKBRP-UHFFFAOYSA-N
XLogP3.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706532
N-[1-(4-methoxyphenyl)propyl]-2,2-diphenylacetamide
CID 55371775
N-[1-(4-methoxyphenyl)propyl]-2-phenylbutanamide
CID 43027690
3-amino-2-methyl-3-phenyl-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884889
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylpropyl]propanamide
CID 28572284
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119721382
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
2-amino-3-methyl-N-(1-phenylpropyl)pentanamide
CID 62305056
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
2-amino-N-[1-(4-methoxyphenyl)propyl]pentanamide;hydrochloride
CID 119271194
3-amino-N-(1-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706806

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide (CID 119689348) is 3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide is CCC(NC(=O)C(C)C(N)c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide?
The InChIKey is JMTBELVQIDKBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-18(15-10-12-17(24-3)13-11-15)22-20(23)14(2)19(21)16-8-6-5-7-9-16/h5-14,18-19H,4,21H2,1-3H3,(H,22,23).
What are the key properties of 3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide?
3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide has a molecular weight of 326.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-methoxyphenyl)propyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 119689348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).