ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide

C14H23NO2 — CID 143996671

IUPACethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide
SMILESCC.CCC(=O)NC(C)Cc1ccc(O)cc1
InChIInChI=1S/C12H17NO2.C2H6/c1-3-12(15)13-9(2)8-10-4-6-11(14)7-5-10;1-2/h4-7,9,14H,3,8H2,1-2H3,(H,13,15);1-2H3
InChIKeyLIMDIYCVQVHFAN-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.88
Rot. Bonds4

About ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide

ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide (PubChem CID 143996671) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide.

Molecular Properties

Compound Nameethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide
PubChem CID143996671
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Nameethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide
SMILESCC.CCC(=O)NC(C)Cc1ccc(O)cc1
InChIInChI=1S/C12H17NO2.C2H6/c1-3-12(15)13-9(2)8-10-4-6-11(14)7-5-10;1-2/h4-7,9,14H,3,8H2,1-2H3,(H,13,15);1-2H3
InChIKeyLIMDIYCVQVHFAN-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
N-[1-(4-hydroxyphenyl)propan-2-yl]-6-methylsulfanyldecanamide
CID 170392078
1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 110903976
4-(2-methylpropyl)phenol;propanoic acid
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1-(4-hydroxyphenyl)-2-methylpentan-3-one
CID 66598933
N-[1-(3,5-difluorophenyl)propan-2-yl]propanamide
CID 145176133
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943
1-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197717
4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide
CID 97236104
4-[2-(4-hydroxyanilino)propyl]phenol
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2-hydroxy-N-(1-phenylpropan-2-yl)acetamide
CID 163342933

Frequently Asked Questions

What is the IUPAC name of ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide?
The IUPAC name of ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide (CID 143996671) is ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide.
What is the SMILES notation for ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide?
The canonical SMILES for ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide is CC.CCC(=O)NC(C)Cc1ccc(O)cc1.
What is the InChIKey of ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide?
The InChIKey is LIMDIYCVQVHFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C2H6/c1-3-12(15)13-9(2)8-10-4-6-11(14)7-5-10;1-2/h4-7,9,14H,3,8H2,1-2H3,(H,13,15);1-2H3.
What are the key properties of ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide?
ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide has a molecular weight of 237.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide is sourced from PubChem (CID 143996671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).