2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide

C20H26N2O2 — CID 120666814

IUPAC2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCCCOC(C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-15-9-11-18(12-10-15)19(21)20(23)22-13-6-14-24-16(2)17-7-4-3-5-8-17/h3-5,7-12,16,19H,6,13-14,21H2,1-2H3,(H,22,23)
InChIKeyLQRKZCIAEQJHER-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.28
Rot. Bonds8

About 2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide

2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide (PubChem CID 120666814) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
PubChem CID120666814
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCCCOC(C)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-15-9-11-18(12-10-15)19(21)20(23)22-13-6-14-24-16(2)17-7-4-3-5-8-17/h3-5,7-12,16,19H,6,13-14,21H2,1-2H3,(H,22,23)
InChIKeyLQRKZCIAEQJHER-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride
CID 119273566
2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide
CID 120667657
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide
CID 106151202
2-amino-4-methylsulfanyl-N-[3-(1-phenylethoxy)propyl]butanamide
CID 119273581
2-amino-N-(3-methoxypropyl)-2-phenylacetamide;hydrochloride
CID 119262550
2-amino-2-phenyl-N-(2-propan-2-yloxyethyl)acetamide
CID 113450222
2-amino-N-(3-anilinopropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669990
2-(diethylamino)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide
CID 56538597
(2R)-2-amino-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61275798
2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
CID 119693834
2-amino-N-[3-(benzenesulfonyl)propyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667950
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide (CID 120666814) is 2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide is Cc1ccc(C(N)C(=O)NCCCOC(C)c2ccccc2)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide?
The InChIKey is LQRKZCIAEQJHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-9-11-18(12-10-15)19(21)20(23)22-13-6-14-24-16(2)17-7-4-3-5-8-17/h3-5,7-12,16,19H,6,13-14,21H2,1-2H3,(H,22,23).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide?
2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide is sourced from PubChem (CID 120666814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).