2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide

C13H20N2O2 — CID 43389753

IUPAC2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide
SMILESCCC(CO)NCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H20N2O2/c1-3-11(9-16)14-8-13(17)15-12-6-4-10(2)5-7-12/h4-7,11,14,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyZLRDGMQKUCOIDH-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.29
Rot. Bonds6

About 2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide

2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide (PubChem CID 43389753) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide
PubChem CID43389753
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide
SMILESCCC(CO)NCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H20N2O2/c1-3-11(9-16)14-8-13(17)15-12-6-4-10(2)5-7-12/h4-7,11,14,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyZLRDGMQKUCOIDH-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide
CID 2455475
N-(4-benzoylphenyl)-2-[[(2R)-1-hydroxypentan-2-yl]amino]acetamide
CID 125463843
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(4-methylphenyl)acetamide
CID 104696173
2-(1,3-dihydroxypropan-2-ylamino)-N-pentan-3-ylacetamide
CID 65313831
1-hexan-3-yl-3-(4-methylphenyl)urea
CID 134360432
N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837141
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
2-[5-bromo-4-[(1-hydroxybutan-2-ylamino)methyl]-2-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66535148
2-[(3-ethyl-2-hydroxypentyl)amino]-N-(4-methylphenyl)acetamide
CID 106285628
2-(3-ethylpentan-3-ylamino)-N-(4-methylphenyl)acetamide
CID 65039600
N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
CID 43179384
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
CID 28565900

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide (CID 43389753) is 2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide is CCC(CO)NCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide?
The InChIKey is ZLRDGMQKUCOIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-11(9-16)14-8-13(17)15-12-6-4-10(2)5-7-12/h4-7,11,14,16H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of 2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide?
2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxybutan-2-ylamino)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 43389753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).