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

C16H24N2O2 — CID 106151199

IUPAC2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCCCOCC2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12-3-7-14(8-4-12)15(17)16(19)18-9-2-10-20-11-13-5-6-13/h3-4,7-8,13,15H,2,5-6,9-11,17H2,1H3,(H,18,19)
InChIKeyPHIHWTKTGGBOPY-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.93
Rot. Bonds8

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

2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide (PubChem CID 106151199) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide
PubChem CID106151199
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCCCOCC2CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-12-3-7-14(8-4-12)15(17)16(19)18-9-2-10-20-11-13-5-6-13/h3-4,7-8,13,15H,2,5-6,9-11,17H2,1H3,(H,18,19)
InChIKeyPHIHWTKTGGBOPY-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.93
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-(cyclopropylmethoxy)propyl]-2-phenylacetamide
CID 93093422
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide
CID 106151202
2-amino-N-(2-cyclopropylethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668581
2-amino-N-(3-cyclohexyloxypropyl)-2-(4-methylphenyl)acetamide
CID 120666811
2-amino-2-(4-methylphenyl)-N-[3-(oxan-4-yloxy)propyl]acetamide
CID 120668843
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-thiophen-2-ylacetamide
CID 115286057
2-amino-2-(4-methylphenyl)-N-[3-(2-phenylethoxy)propyl]acetamide
CID 120667657
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide
CID 106151335
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
(2R)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-(4-hydroxyphenyl)propanamide
CID 104904734
2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 120666814
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-4-methylpentanamide
CID 61155391

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide (CID 106151199) is 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NCCCOCC2CC2)cc1.
What is the InChIKey of 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide?
The InChIKey is PHIHWTKTGGBOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-3-7-14(8-4-12)15(17)16(19)18-9-2-10-20-11-13-5-6-13/h3-4,7-8,13,15H,2,5-6,9-11,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide?
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 106151199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).