N-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide

C17H26N2O — CID 119746815

IUPACN-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide
SMILESCN(C(=O)CNCC1CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-17(2,3)14-7-9-15(10-8-14)19(4)16(20)12-18-11-13-5-6-13/h7-10,13,18H,5-6,11-12H2,1-4H3
InChIKeyNWFUXSYSCJASCZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.95
Rot. Bonds5

About N-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide

N-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide (PubChem CID 119746815) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide
PubChem CID119746815
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide
SMILESCN(C(=O)CNCC1CC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H26N2O/c1-17(2,3)14-7-9-15(10-8-14)19(4)16(20)12-18-11-13-5-6-13/h7-10,13,18H,5-6,11-12H2,1-4H3
InChIKeyNWFUXSYSCJASCZ-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-methyl-N-phenylacetamide
CID 60842442
N-[(4-tert-butylphenyl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide
CID 60937097
methyl 3-(4-tert-butyl-N-methylanilino)-3-oxopropanoate
CID 115174195
N-(4-tert-butylphenyl)-N-methylcyclopropanecarboxamide
CID 69029843
N-(4-tert-butylphenyl)-4-hydroxy-N-methylbutanamide
CID 115162843
N-(4-tert-butylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-methylacetamide
CID 52530451
2-(cyclopropylamino)-N-(4-hydroxyphenyl)-N-methylacetamide
CID 103606290
2-[(4-ethylcyclohexyl)methylamino]-N,N-dimethylacetamide
CID 60971732
2-(cyclohexylmethylamino)-N-methyl-N-pyridin-2-ylacetamide
CID 101057675
N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide
CID 60936936
2-(cyclopropylmethylamino)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 54873442
4-amino-N-(4-tert-butylphenyl)-3-methoxy-N-methylbutanamide;hydrochloride
CID 120590068

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide (CID 119746815) is N-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide is CN(C(=O)CNCC1CC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide?
The InChIKey is NWFUXSYSCJASCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,3)14-7-9-15(10-8-14)19(4)16(20)12-18-11-13-5-6-13/h7-10,13,18H,5-6,11-12H2,1-4H3.
What are the key properties of N-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide?
N-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide has a molecular weight of 274.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)-N-methylacetamide is sourced from PubChem (CID 119746815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).