3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide

C20H26N2O2 — CID 119772263

IUPAC3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide
SMILESCc1ccccc1OCCCNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-15-9-6-7-12-18(15)24-14-8-13-22-20(23)16(2)19(21)17-10-4-3-5-11-17/h3-7,9-12,16,19H,8,13-14,21H2,1-2H3,(H,22,23)
InChIKeyYKVCIUZETNEHKG-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.22
Rot. Bonds8

About 3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide

3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide (PubChem CID 119772263) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide
PubChem CID119772263
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide
SMILESCc1ccccc1OCCCNC(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-15-9-6-7-12-18(15)24-14-8-13-22-20(23)16(2)19(21)17-10-4-3-5-11-17/h3-7,9-12,16,19H,8,13-14,21H2,1-2H3,(H,22,23)
InChIKeyYKVCIUZETNEHKG-UHFFFAOYSA-N
XLogP3.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.22
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

3-amino-N-(3-butoxypropyl)-2-methyl-3-phenylpropanamide
CID 115737917
3-amino-2-methyl-N-[3-(2-methylpropoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119693609
3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119722375
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213
N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119725929
3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
CID 107317767
3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119788038
3-amino-N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide;hydrochloride
CID 119950402
2-amino-N-[2-(2-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667716
methyl 6-[(3-amino-2-methyl-3-phenylpropanoyl)amino]hexanoate
CID 119686216
(2S)-2-amino-3,3-dimethyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 119742932
3-amino-N-(5,5-dimethylhexyl)-2-methyl-3-phenylpropanamide
CID 119775743

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide (CID 119772263) is 3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide is Cc1ccccc1OCCCNC(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide?
The InChIKey is YKVCIUZETNEHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-9-6-7-12-18(15)24-14-8-13-22-20(23)16(2)19(21)17-10-4-3-5-11-17/h3-7,9-12,16,19H,8,13-14,21H2,1-2H3,(H,22,23).
What are the key properties of 3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide?
3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide has a molecular weight of 326.44 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide is sourced from PubChem (CID 119772263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).