N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide

C18H28N2O — CID 60937097

IUPACN-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)CNCC1CC1
InChIInChI=1S/C18H28N2O/c1-18(2,3)16-9-7-15(8-10-16)13-20(4)17(21)12-19-11-14-5-6-14/h7-10,14,19H,5-6,11-13H2,1-4H3
InChIKeyATAPDTFVAWILTL-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.94
Rot. Bonds6

About N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide

N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide (PubChem CID 60937097) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide
PubChem CID60937097
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)CNCC1CC1
InChIInChI=1S/C18H28N2O/c1-18(2,3)16-9-7-15(8-10-16)13-20(4)17(21)12-19-11-14-5-6-14/h7-10,14,19H,5-6,11-13H2,1-4H3
InChIKeyATAPDTFVAWILTL-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide
CID 119746815
2-(cyclopropylmethylamino)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119681823
2-(cyclopropylmethylamino)-N-methyl-N-(naphthalen-2-ylmethyl)acetamide
CID 60936784
2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
CID 54872632
N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119690320
N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 60937202
2-(cyclopropylmethylamino)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylacetamide
CID 119766880
2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 119958237
2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 54873442
2-(cyclopropylmethylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 54869359
2-(cyclopropylmethylamino)-N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-N-methylacetamide;hydrochloride
CID 119759990
N-[(5-bromothiophen-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;hydrochloride
CID 119742244

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide (CID 60937097) is N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide is CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CNCC1CC1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide?
The InChIKey is ATAPDTFVAWILTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,3)16-9-7-15(8-10-16)13-20(4)17(21)12-19-11-14-5-6-14/h7-10,14,19H,5-6,11-13H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide?
N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide has a molecular weight of 288.44 g/mol, XLogP of 2.94, 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]-2-(cyclopropylmethylamino)-N-methylacetamide is sourced from PubChem (CID 60937097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).