4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide

C14H21NO3 — CID 79192194

IUPAC4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
SMILESCc1ccc(OCC(C)NC(=O)CCCO)cc1
InChIInChI=1S/C14H21NO3/c1-11-5-7-13(8-6-11)18-10-12(2)15-14(17)4-3-9-16/h5-8,12,16H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyDVGYHJBIVLMVGT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.65
Rot. Bonds7

About 4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide

4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide (PubChem CID 79192194) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
PubChem CID79192194
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
SMILESCc1ccc(OCC(C)NC(=O)CCCO)cc1
InChIInChI=1S/C14H21NO3/c1-11-5-7-13(8-6-11)18-10-12(2)15-14(17)4-3-9-16/h5-8,12,16H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeyDVGYHJBIVLMVGT-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005
N-[1-(4-methylphenoxy)propan-2-yl]-3-phenylsulfanylpropanamide
CID 132651419
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132650444
2,2-dimethyl-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]propanamide
CID 52773928
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]butanamide
CID 125042890
3-(3,4-dichlorophenyl)-N-[1-(4-methylphenoxy)propan-2-yl]propanamide
CID 133220730
N-(3-methylbutan-2-yl)-2-[1-(4-methylphenoxy)propan-2-ylamino]acetamide
CID 61489179
2-(2-chlorophenyl)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 133166961
4-(4-chloro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 132671755
6-[1-(4-methylphenoxy)propan-2-ylamino]hexan-1-ol
CID 107703257
N-[1-(4-methylphenoxy)propan-2-yl]-2-thiophen-2-ylacetamide
CID 47450824
N-[2-[[(2R)-1-(4-methylphenoxy)propan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 95157805

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide?
The IUPAC name of 4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide (CID 79192194) is 4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide?
The canonical SMILES for 4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide is Cc1ccc(OCC(C)NC(=O)CCCO)cc1.
What is the InChIKey of 4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide?
The InChIKey is DVGYHJBIVLMVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11-5-7-13(8-6-11)18-10-12(2)15-14(17)4-3-9-16/h5-8,12,16H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of 4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide?
4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide has a molecular weight of 251.33 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[1-(4-methylphenoxy)propan-2-yl]butanamide is sourced from PubChem (CID 79192194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).