2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide

C15H24N2O — CID 95357768

IUPAC2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide
SMILESCC(C)CC[C@H](C)NCC(=O)Nc1ccccc1
InChIInChI=1S/C15H24N2O/c1-12(2)9-10-13(3)16-11-15(18)17-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyMHQUUIQWKMAGBV-ZDUSSCGKSA-N
MW248.37 g/mol
LogP3.04
Rot. Bonds7

About 2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide

2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide (PubChem CID 95357768) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide
PubChem CID95357768
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide
SMILESCC(C)CC[C@H](C)NCC(=O)Nc1ccccc1
InChIInChI=1S/C15H24N2O/c1-12(2)9-10-13(3)16-11-15(18)17-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,17,18)/t13-/m0/s1
InChIKeyMHQUUIQWKMAGBV-ZDUSSCGKSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[N'-methyl-N-(5-methylhexan-2-yl)carbamimidoyl]amino]-N-phenylacetamide
CID 111203422
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
2-(6-methylheptan-2-ylamino)-N-(3-methylphenyl)acetamide
CID 60647450
(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide
CID 97018627
2-(3,3-dimethylbutan-2-ylamino)-N-phenylacetamide
CID 115626999
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
2-[(2-anilino-2-oxoethyl)amino]-3-methylbutanamide
CID 103914138
N-(3-methylphenyl)-2-(pentan-2-ylamino)acetamide
CID 43179547
2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide
CID 112696312
N-(4-bromophenyl)-2-(4-hydroxybutan-2-ylamino)acetamide
CID 83176951
2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]-N-phenylacetamide
CID 115588967
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 43401445

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide?
The IUPAC name of 2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide (CID 95357768) is 2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide?
The canonical SMILES for 2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide is CC(C)CC[C@H](C)NCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide?
The InChIKey is MHQUUIQWKMAGBV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)9-10-13(3)16-11-15(18)17-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide?
2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide has a molecular weight of 248.37 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-5-methylhexan-2-yl]amino]-N-phenylacetamide is sourced from PubChem (CID 95357768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).