3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide

C18H28N2O — CID 119763696

IUPAC3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide
SMILESCC(C)Cc1ccc(C(NC(=O)CC(C)N)C2CC2)cc1
InChIInChI=1S/C18H28N2O/c1-12(2)10-14-4-6-15(7-5-14)18(16-8-9-16)20-17(21)11-13(3)19/h4-7,12-13,16,18H,8-11,19H2,1-3H3,(H,20,21)
InChIKeyUCLMFSLWWZUJTK-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.19
Rot. Bonds7

About 3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide

3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide (PubChem CID 119763696) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide
PubChem CID119763696
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide
SMILESCC(C)Cc1ccc(C(NC(=O)CC(C)N)C2CC2)cc1
InChIInChI=1S/C18H28N2O/c1-12(2)10-14-4-6-15(7-5-14)18(16-8-9-16)20-17(21)11-13(3)19/h4-7,12-13,16,18H,8-11,19H2,1-3H3,(H,20,21)
InChIKeyUCLMFSLWWZUJTK-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377
cyclopropyl-[4-(2-methylpropyl)phenyl]methanamine
CID 4579734
N-(2-amino-1-cyclopropylethyl)-2-[4-(2-methylpropyl)phenyl]acetamide;hydrochloride
CID 119615543
(3R)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 940967
3-amino-3-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 116848740
2-(4-aminophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
CID 119689371
3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide
CID 119951252
2-(4-aminophenyl)-N-[cyclopropyl(phenyl)methyl]acetamide
CID 43709659
N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 60618502
4-[amino-[4-(2-methylpropyl)phenyl]methyl]cyclohexan-1-amine
CID 116937134

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide?
The IUPAC name of 3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide (CID 119763696) is 3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide is CC(C)Cc1ccc(C(NC(=O)CC(C)N)C2CC2)cc1.
What is the InChIKey of 3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide?
The InChIKey is UCLMFSLWWZUJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12(2)10-14-4-6-15(7-5-14)18(16-8-9-16)20-17(21)11-13(3)19/h4-7,12-13,16,18H,8-11,19H2,1-3H3,(H,20,21).
What are the key properties of 3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide?
3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide has a molecular weight of 288.44 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[cyclopropyl-[4-(2-methylpropyl)phenyl]methyl]butanamide is sourced from PubChem (CID 119763696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).