1-(2-tert-butyl-N-methylanilino)propan-2-one

C14H21NO — CID 117029491

IUPAC1-(2-tert-butyl-N-methylanilino)propan-2-one
SMILESCC(=O)CN(C)c1ccccc1C(C)(C)C
InChIInChI=1S/C14H21NO/c1-11(16)10-15(5)13-9-7-6-8-12(13)14(2,3)4/h6-9H,10H2,1-5H3
InChIKeyUOSCBKSCQMGJDK-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.01
Rot. Bonds3

About 1-(2-tert-butyl-N-methylanilino)propan-2-one

1-(2-tert-butyl-N-methylanilino)propan-2-one (PubChem CID 117029491) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-tert-butyl-N-methylanilino)propan-2-one.

Molecular Properties

Compound Name1-(2-tert-butyl-N-methylanilino)propan-2-one
PubChem CID117029491
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2-tert-butyl-N-methylanilino)propan-2-one
SMILESCC(=O)CN(C)c1ccccc1C(C)(C)C
InChIInChI=1S/C14H21NO/c1-11(16)10-15(5)13-9-7-6-8-12(13)14(2,3)4/h6-9H,10H2,1-5H3
InChIKeyUOSCBKSCQMGJDK-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(2-tert-butyl-N-methylanilino)propanoate
CID 117029464
(2-tert-butylphenyl)-methylcarbamic acid
CID 142882517
N-acetyl-N-(2-tert-butylphenyl)propanamide
CID 15889837
2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide
CID 113170458
methyl 2-[methyl(2-oxopropyl)amino]benzoate
CID 117029506
2-tert-butyl-N,N-dimethylaniline;ethane
CID 161110367
N-(2-tert-butylphenyl)-N-methylcyclohexanecarboxamide
CID 84512216
N-(2-tert-butylphenyl)-2-chloro-N-(chloromethyl)acetamide
CID 54038118
N-(2-tert-butylphenyl)-N-methyl-2-oxo-2-phenylacetamide
CID 139115648
N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113170396
N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113170409
2-(N-acetyl-2-tert-butylanilino)-N-(4-acetylphenyl)acetamide
CID 113170515

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-N-methylanilino)propan-2-one?
The IUPAC name of 1-(2-tert-butyl-N-methylanilino)propan-2-one (CID 117029491) is 1-(2-tert-butyl-N-methylanilino)propan-2-one.
What is the SMILES notation for 1-(2-tert-butyl-N-methylanilino)propan-2-one?
The canonical SMILES for 1-(2-tert-butyl-N-methylanilino)propan-2-one is CC(=O)CN(C)c1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butyl-N-methylanilino)propan-2-one?
The InChIKey is UOSCBKSCQMGJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(16)10-15(5)13-9-7-6-8-12(13)14(2,3)4/h6-9H,10H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-N-methylanilino)propan-2-one?
1-(2-tert-butyl-N-methylanilino)propan-2-one has a molecular weight of 219.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-N-methylanilino)propan-2-one is sourced from PubChem (CID 117029491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).