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

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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).