2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide

C18H28N2O — CID 60866617

IUPAC2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide
SMILESCC(NC(=O)C(C)(N)C1CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-12(20-16(21)18(5,19)15-10-11-15)13-6-8-14(9-7-13)17(2,3)4/h6-9,12,15H,10-11,19H2,1-5H3,(H,20,21)
InChIKeyTTWQTZBVCXLYAB-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.29
Rot. Bonds4

About 2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide

2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide (PubChem CID 60866617) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide
PubChem CID60866617
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide
SMILESCC(NC(=O)C(C)(N)C1CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H28N2O/c1-12(20-16(21)18(5,19)15-10-11-15)13-6-8-14(9-7-13)17(2,3)4/h6-9,12,15H,10-11,19H2,1-5H3,(H,20,21)
InChIKeyTTWQTZBVCXLYAB-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 60866125
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-2-cyclopropylpropanamide
CID 81354638
2-amino-2-cyclopropyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61248453
2-amino-2-cyclopropyl-N-[(1R)-1-phenylethyl]propanamide
CID 55252127
2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-2-cyclopropylpropanamide
CID 81376410
2-amino-2-cyclopropyl-N-[1-(furan-2-yl)ethyl]propanamide
CID 60866793
2-amino-2-cyclopropyl-N-[1-(3-fluoro-4-phenoxyphenyl)ethyl]propanamide
CID 86814049
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide
CID 54925184
2-amino-2-cyclopropyl-N-(4-propan-2-ylphenyl)propanamide
CID 60866090
(2R)-2-[(2-amino-2-cyclopropylpropanoyl)amino]-2-phenylacetic acid
CID 61161130
2-[1-[(2-amino-2-cyclopropylpropanoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379039
N-[1-(4-tert-butylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 47161890

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide?
The IUPAC name of 2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide (CID 60866617) is 2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide?
The canonical SMILES for 2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide is CC(NC(=O)C(C)(N)C1CC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide?
The InChIKey is TTWQTZBVCXLYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12(20-16(21)18(5,19)15-10-11-15)13-6-8-14(9-7-13)17(2,3)4/h6-9,12,15H,10-11,19H2,1-5H3,(H,20,21).
What are the key properties of 2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide?
2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide has a molecular weight of 288.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(4-tert-butylphenyl)ethyl]-2-cyclopropylpropanamide is sourced from PubChem (CID 60866617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).