2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide

C14H22N2O — CID 115626999

IUPAC2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide
SMILESCC(NCC(=O)Nc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H22N2O/c1-11(14(2,3)4)15-10-13(17)16-12-8-6-5-7-9-12/h5-9,11,15H,10H2,1-4H3,(H,16,17)
InChIKeyRDYQUOAVZKVHNB-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.65
Rot. Bonds4

About 2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide

2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide (PubChem CID 115626999) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide
PubChem CID115626999
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide
SMILESCC(NCC(=O)Nc1ccccc1)C(C)(C)C
InChIInChI=1S/C14H22N2O/c1-11(14(2,3)4)15-10-13(17)16-12-8-6-5-7-9-12/h5-9,11,15H,10H2,1-4H3,(H,16,17)
InChIKeyRDYQUOAVZKVHNB-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide
CID 71986887
2-(3,3-dimethylbutan-2-ylamino)-N-(3-fluorophenyl)acetamide
CID 115626967
methyl (2S)-2-[(2-anilino-2-oxoethyl)amino]-3,3-dimethylbutanoate
CID 71850682
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
2-[(2-anilino-2-oxoethyl)amino]-3-methylbutanamide
CID 103914138
2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide
CID 95357768
N-phenyl-2-(2,2,3-trimethylbutylamino)acetamide
CID 114099870
2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide
CID 112696312
N-[4-[(2-anilino-2-oxoethyl)amino]phenyl]-2-methylpropanamide
CID 54830466
N-(4-acetamidophenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131833
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide?
The IUPAC name of 2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide (CID 115626999) is 2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide.
What is the SMILES notation for 2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide?
The canonical SMILES for 2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide is CC(NCC(=O)Nc1ccccc1)C(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide?
The InChIKey is RDYQUOAVZKVHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(14(2,3)4)15-10-13(17)16-12-8-6-5-7-9-12/h5-9,11,15H,10H2,1-4H3,(H,16,17).
What are the key properties of 2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide?
2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide has a molecular weight of 234.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide is sourced from PubChem (CID 115626999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).