2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide

C16H25N3O — CID 116652660

IUPAC2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(C)C(CN)C2CC2)cc1
InChIInChI=1S/C16H25N3O/c1-3-12-4-8-14(9-5-12)18-16(20)11-19(2)15(10-17)13-6-7-13/h4-5,8-9,13,15H,3,6-7,10-11,17H2,1-2H3,(H,18,20)
InChIKeyHIBOHBUIFXZLRP-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.86
Rot. Bonds7

About 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide (PubChem CID 116652660) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide
PubChem CID116652660
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CN(C)C(CN)C2CC2)cc1
InChIInChI=1S/C16H25N3O/c1-3-12-4-8-14(9-5-12)18-16(20)11-19(2)15(10-17)13-6-7-13/h4-5,8-9,13,15H,3,6-7,10-11,17H2,1-2H3,(H,18,20)
InChIKeyHIBOHBUIFXZLRP-UHFFFAOYSA-N
XLogP1.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 116652760
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(3,5-difluorophenyl)acetamide
CID 116652536
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-methylacetamide
CID 116652481
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(2-bromo-4-methylphenyl)acetamide
CID 116652601
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(1-phenylethyl)acetamide
CID 116653073
N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 16790280
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 116652439
2-[acetyl(cyclopentyl)amino]-N-(4-ethylphenyl)acetamide
CID 113159310
methyl 3-[[2-(4-ethylanilino)-2-oxoethyl]-methylamino]-2-methylpropanoate
CID 62013632
N-(4-ethylphenyl)-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 55060790
2-[acetyl(cyclohexyl)amino]-N-(4-ethylphenyl)acetamide
CID 113159508
2-[acetyl(cycloheptyl)amino]-N-(4-ethylphenyl)acetamide
CID 113166356

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide (CID 116652660) is 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CN(C)C(CN)C2CC2)cc1.
What is the InChIKey of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide?
The InChIKey is HIBOHBUIFXZLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-12-4-8-14(9-5-12)18-16(20)11-19(2)15(10-17)13-6-7-13/h4-5,8-9,13,15H,3,6-7,10-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide?
2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1-cyclopropylethyl)-methylamino]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 116652660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).