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

C16H26N2O2 — CID 106151202

IUPAC2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCCCOCC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)11-20-10-4-9-18-16(19)15(17)14-7-5-13(3)6-8-14/h5-8,12,15H,4,9-11,17H2,1-3H3,(H,18,19)
InChIKeyKGBSASZSIYLFIN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.17
Rot. Bonds8

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

2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide (PubChem CID 106151202) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide
PubChem CID106151202
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCCCOCC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)11-20-10-4-9-18-16(19)15(17)14-7-5-13(3)6-8-14/h5-8,12,15H,4,9-11,17H2,1-3H3,(H,18,19)
InChIKeyKGBSASZSIYLFIN-UHFFFAOYSA-N
XLogP2.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.17
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

2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide
CID 106151199
2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide
CID 120667657
2-amino-N-(3-cyclohexyloxypropyl)-2-(4-methylphenyl)acetamide
CID 120666811
2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 120666814
2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide
CID 120668843
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
3-amino-2-methyl-N-[3-(2-methylpropoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119693609
1-(2-bromo-4-methylphenyl)-3-[3-(2-methylpropoxy)propyl]urea
CID 47133437
2-amino-N-[2-(4-methylphenoxy)propyl]-2-(4-methylphenyl)acetamide
CID 120667389
2-amino-2-(4-methylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 106151234
2-amino-N-(2-hydroxy-3-methylbutyl)-2-(4-methylphenyl)acetamide
CID 114172133
2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 60714986

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide (CID 106151202) is 2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide is Cc1ccc(C(N)C(=O)NCCCOCC(C)C)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide?
The InChIKey is KGBSASZSIYLFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)11-20-10-4-9-18-16(19)15(17)14-7-5-13(3)6-8-14/h5-8,12,15H,4,9-11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide?
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 2.17, 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-(2-methylpropoxy)propyl]acetamide is sourced from PubChem (CID 106151202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).