2-anilino-N-(4-hydroxypentan-2-yl)acetamide

C13H20N2O2 — CID 113376266

IUPAC2-anilino-N-(4-hydroxypentan-2-yl)acetamide
SMILESCC(O)CC(C)NC(=O)CNc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-10(8-11(2)16)15-13(17)9-14-12-6-4-3-5-7-12/h3-7,10-11,14,16H,8-9H2,1-2H3,(H,15,17)
InChIKeyDYHSSGIGSJWQFG-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.37
Rot. Bonds6

About 2-anilino-N-(4-hydroxypentan-2-yl)acetamide

2-anilino-N-(4-hydroxypentan-2-yl)acetamide (PubChem CID 113376266) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-anilino-N-(4-hydroxypentan-2-yl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(4-hydroxypentan-2-yl)acetamide
PubChem CID113376266
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-anilino-N-(4-hydroxypentan-2-yl)acetamide
SMILESCC(O)CC(C)NC(=O)CNc1ccccc1
InChIInChI=1S/C13H20N2O2/c1-10(8-11(2)16)15-13(17)9-14-12-6-4-3-5-7-12/h3-7,10-11,14,16H,8-9H2,1-2H3,(H,15,17)
InChIKeyDYHSSGIGSJWQFG-UHFFFAOYSA-N
XLogP1.37
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-(1-hydroxypropan-2-yl)acetamide
CID 60862778
2-anilino-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 115740490
(2S,3R)-2-[(2-anilinoacetyl)amino]-3-hydroxybutanoic acid
CID 104965238
2-anilino-N-[1-(furan-2-yl)propan-2-yl]acetamide
CID 60861599
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
(2R)-2-[(2-anilinoacetyl)amino]propanamide
CID 173385485
2-[(2-anilinoacetyl)amino]propanamide
CID 22166450
2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide
CID 60860440
2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride
CID 119748180
3-[(2-anilinoacetyl)amino]-N-butan-2-ylpropanamide
CID 61022348
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
2-[(2-anilinoacetyl)amino]-3-methylbutanamide
CID 113248506

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(4-hydroxypentan-2-yl)acetamide?
The IUPAC name of 2-anilino-N-(4-hydroxypentan-2-yl)acetamide (CID 113376266) is 2-anilino-N-(4-hydroxypentan-2-yl)acetamide.
What is the SMILES notation for 2-anilino-N-(4-hydroxypentan-2-yl)acetamide?
The canonical SMILES for 2-anilino-N-(4-hydroxypentan-2-yl)acetamide is CC(O)CC(C)NC(=O)CNc1ccccc1.
What is the InChIKey of 2-anilino-N-(4-hydroxypentan-2-yl)acetamide?
The InChIKey is DYHSSGIGSJWQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(8-11(2)16)15-13(17)9-14-12-6-4-3-5-7-12/h3-7,10-11,14,16H,8-9H2,1-2H3,(H,15,17).
What are the key properties of 2-anilino-N-(4-hydroxypentan-2-yl)acetamide?
2-anilino-N-(4-hydroxypentan-2-yl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(4-hydroxypentan-2-yl)acetamide is sourced from PubChem (CID 113376266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).