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

C20H26N2O2 — CID 120667657

IUPAC2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCCCOCCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-16-8-10-18(11-9-16)19(21)20(23)22-13-5-14-24-15-12-17-6-3-2-4-7-17/h2-4,6-11,19H,5,12-15,21H2,1H3,(H,22,23)
InChIKeyHCJGCBJXMHDMIS-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.76
Rot. Bonds9

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

2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide (PubChem CID 120667657) 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-(2-phenylethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide
PubChem CID120667657
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCCCOCCc2ccccc2)cc1
InChIInChI=1S/C20H26N2O2/c1-16-8-10-18(11-9-16)19(21)20(23)22-13-5-14-24-15-12-17-6-3-2-4-7-17/h2-4,6-11,19H,5,12-15,21H2,1H3,(H,22,23)
InChIKeyHCJGCBJXMHDMIS-UHFFFAOYSA-N
XLogP2.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.76
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

(2S)-2-amino-N-[3-(2-phenylethoxy)propyl]propanamide
CID 119298276
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide
CID 106151202
(2R)-2-amino-N-[3-(2-methoxyethoxy)propyl]-2-phenylacetamide
CID 61275798
(2S)-2-amino-4-methyl-N-[3-(2-phenylethoxy)propyl]pentanamide
CID 119739711
2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 120666814
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide
CID 106151199
(2S)-2-amino-3-methyl-N-[4-(2-phenylethoxy)butyl]butanamide
CID 119293937
2-amino-N-(3-anilinopropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669990
2-methyl-3-(methylamino)-N-[3-(2-phenylethoxy)propyl]propanamide;hydrochloride
CID 119739688
2-amino-2-(4-methylphenyl)-N-phenylmethoxyacetamide
CID 106151599
(2R)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[3-(2-phenylethoxy)propyl]propanamide
CID 124830596
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide
CID 93093422

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide (CID 120667657) is 2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide is Cc1ccc(C(N)C(=O)NCCCOCCc2ccccc2)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide?
The InChIKey is HCJGCBJXMHDMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-16-8-10-18(11-9-16)19(21)20(23)22-13-5-14-24-15-12-17-6-3-2-4-7-17/h2-4,6-11,19H,5,12-15,21H2,1H3,(H,22,23).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide?
2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 2.76, 9 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-(2-phenylethoxy)propyl]acetamide is sourced from PubChem (CID 120667657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).