2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide

C18H28N2O — CID 60866035

IUPAC2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1ccc(NC(=O)CNCC2CC2)c(C(C)C)c1
InChIInChI=1S/C18H28N2O/c1-12(2)15-7-8-17(16(9-15)13(3)4)20-18(21)11-19-10-14-5-6-14/h7-9,12-14,19H,5-6,10-11H2,1-4H3,(H,20,21)
InChIKeyYGNZTIGKGQUBJX-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.87
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide

2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide (PubChem CID 60866035) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide
PubChem CID60866035
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1ccc(NC(=O)CNCC2CC2)c(C(C)C)c1
InChIInChI=1S/C18H28N2O/c1-12(2)15-7-8-17(16(9-15)13(3)4)20-18(21)11-19-10-14-5-6-14/h7-9,12-14,19H,5-6,10-11H2,1-4H3,(H,20,21)
InChIKeyYGNZTIGKGQUBJX-UHFFFAOYSA-N
XLogP3.87
TPSA41.13 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 ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
3-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 43705485
2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 54924927
5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide
CID 43698416
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 119705801
3-chloro-N-[2,4-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 63680547
2-[[2-(cyclopropylmethylamino)acetyl]amino]-N,5-dimethylbenzamide
CID 119800266
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide
CID 60868336
2-(cyclopropylmethylamino)-N-(5-fluoro-2-propan-2-yloxyphenyl)acetamide
CID 119770220
(2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride
CID 119288317
3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide
CID 55105659
N-(2-bromo-4-iodophenyl)-2-(cyclopropylmethylamino)acetamide
CID 114259911

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide (CID 60866035) is 2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide is CC(C)c1ccc(NC(=O)CNCC2CC2)c(C(C)C)c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide?
The InChIKey is YGNZTIGKGQUBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-12(2)15-7-8-17(16(9-15)13(3)4)20-18(21)11-19-10-14-5-6-14/h7-9,12-14,19H,5-6,10-11H2,1-4H3,(H,20,21).
What are the key properties of 2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide?
2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide has a molecular weight of 288.44 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 60866035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).