2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide

C16H24N2O — CID 39360756

IUPAC2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide
SMILESCC(C)(C)c1ccc(CN(C(=O)CN)C2CC2)cc1
InChIInChI=1S/C16H24N2O/c1-16(2,3)13-6-4-12(5-7-13)11-18(14-8-9-14)15(19)10-17/h4-7,14H,8-11,17H2,1-3H3
InChIKeyMCZVUVLYEMBOPI-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.43
Rot. Bonds4

About 2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide

2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide (PubChem CID 39360756) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide
PubChem CID39360756
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide
SMILESCC(C)(C)c1ccc(CN(C(=O)CN)C2CC2)cc1
InChIInChI=1S/C16H24N2O/c1-16(2,3)13-6-4-12(5-7-13)11-18(14-8-9-14)15(19)10-17/h4-7,14H,8-11,17H2,1-3H3
InChIKeyMCZVUVLYEMBOPI-UHFFFAOYSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 46592100
N-cyclopropyl-2-methylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 134004426
2-amino-N-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)acetamide
CID 39362122
N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 39349485
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 60964232
4-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]butanamide
CID 54870516
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylcyclohexyl)acetamide;hydrochloride
CID 119318289
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide
CID 94689627
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 115426364
N-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2-methylbenzamide
CID 42702953

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide?
The IUPAC name of 2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide (CID 39360756) is 2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide?
The canonical SMILES for 2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide is CC(C)(C)c1ccc(CN(C(=O)CN)C2CC2)cc1.
What is the InChIKey of 2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide?
The InChIKey is MCZVUVLYEMBOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2,3)13-6-4-12(5-7-13)11-18(14-8-9-14)15(19)10-17/h4-7,14H,8-11,17H2,1-3H3.
What are the key properties of 2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide?
2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide has a molecular weight of 260.38 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide is sourced from PubChem (CID 39360756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).