N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide

C18H28N2O — CID 60937202

IUPACN-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCNC1CC1
InChIInChI=1S/C18H28N2O/c1-18(2,3)15-7-5-14(6-8-15)13-20(4)17(21)11-12-19-16-9-10-16/h5-8,16,19H,9-13H2,1-4H3
InChIKeyAETHGFWSMGDUMZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.08
Rot. Bonds6

About N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide

N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide (PubChem CID 60937202) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
PubChem CID60937202
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCNC1CC1
InChIInChI=1S/C18H28N2O/c1-18(2,3)15-7-5-14(6-8-15)13-20(4)17(21)11-12-19-16-9-10-16/h5-8,16,19H,9-13H2,1-4H3
InChIKeyAETHGFWSMGDUMZ-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936975
3-(cyclopropylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylpropanamide
CID 60936891
3-(cyclopropylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylpropanamide
CID 54872645
N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide
CID 60937097
N-[(4-tert-butylphenyl)methyl]-3-cyano-N-methylpropanamide
CID 94692251
N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54873279
N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54869433
N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 39757925
3-(cyclopropylamino)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylpropanamide
CID 60938684
3-(cyclopropylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylpropanamide
CID 60962807
3-amino-N-[(4-tert-butylphenyl)methyl]-N,3-dimethylbutanamide
CID 64685652
1-[(4-tert-butylphenyl)methyl]-1,3-dimethylurea
CID 47127305

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide (CID 60937202) is N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide is CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCNC1CC1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide?
The InChIKey is AETHGFWSMGDUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,3)15-7-5-14(6-8-15)13-20(4)17(21)11-12-19-16-9-10-16/h5-8,16,19H,9-13H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide?
N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide has a molecular weight of 288.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide is sourced from PubChem (CID 60937202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).