N-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide

C14H21NO3 — CID 114211535

IUPACN-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
SMILESCOCCC(CO)NC(=O)Cc1cccc(C)c1
InChIInChI=1S/C14H21NO3/c1-11-4-3-5-12(8-11)9-14(17)15-13(10-16)6-7-18-2/h3-5,8,13,16H,6-7,9-10H2,1-2H3,(H,15,17)
InChIKeyMCMYAIQIENMKBL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.05
Rot. Bonds7

About N-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide

N-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide (PubChem CID 114211535) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
PubChem CID114211535
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
SMILESCOCCC(CO)NC(=O)Cc1cccc(C)c1
InChIInChI=1S/C14H21NO3/c1-11-4-3-5-12(8-11)9-14(17)15-13(10-16)6-7-18-2/h3-5,8,13,16H,6-7,9-10H2,1-2H3,(H,15,17)
InChIKeyMCMYAIQIENMKBL-UHFFFAOYSA-N
XLogP1.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
CID 106152342
N-(1-bromo-4-methoxybutan-2-yl)-2-(3-chlorophenyl)acetamide
CID 114212001
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(3-methylphenyl)acetamide
CID 79253237
2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 62390110
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(3-methylphenyl)acetamide
CID 103945384
N-[2-(2-methoxyethylamino)ethyl]-2-(3-methylphenyl)acetamide
CID 82994349
2-[[2-(3-chlorophenyl)acetyl]amino]-4-methoxybutanoic acid
CID 62503567
3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
N-(1-chloro-3-phenylpropan-2-yl)-2-(3-methylphenyl)acetamide
CID 114300302
4-(3-chlorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]butanoic acid
CID 67362285
N-(5-hydroxy-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 113340866
methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate
CID 103879292

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide (CID 114211535) is N-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide is COCCC(CO)NC(=O)Cc1cccc(C)c1.
What is the InChIKey of N-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide?
The InChIKey is MCMYAIQIENMKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11-4-3-5-12(8-11)9-14(17)15-13(10-16)6-7-18-2/h3-5,8,13,16H,6-7,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide?
N-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 114211535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).