4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide

C18H20N2O3 — CID 97236104

IUPAC4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-12(11-14-3-9-17(22)10-4-14)19-18(23)15-5-7-16(8-6-15)20-13(2)21/h3-10,12,22H,11H2,1-2H3,(H,19,23)(H,20,21)/t12-/m0/s1
InChIKeyRXKHWHUTWXQCGM-LBPRGKRZSA-N
MW312.37 g/mol
LogP2.71
Rot. Bonds5

About 4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide

4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide (PubChem CID 97236104) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide
PubChem CID97236104
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-12(11-14-3-9-17(22)10-4-14)19-18(23)15-5-7-16(8-6-15)20-13(2)21/h3-10,12,22H,11H2,1-2H3,(H,19,23)(H,20,21)/t12-/m0/s1
InChIKeyRXKHWHUTWXQCGM-LBPRGKRZSA-N
XLogP2.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-butan-2-ylbenzamide
CID 4540233
4-acetamido-N-pentan-2-ylbenzamide
CID 2885822
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416
N-[1-(4-bromophenyl)propan-2-yl]-4-(cyclopropylcarbamoylamino)benzamide
CID 55849036
N-[4-(4-hydroxybenzoyl)phenyl]acetamide
CID 91710939
N-(4-aminobutan-2-yl)-4-hydroxybenzamide
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ethane;N-[1-(4-hydroxyphenyl)propan-2-yl]propanamide
CID 143996671
N-(4-hydroxyphenyl)acetamide;iron
CID 69304461
N-(4-hydroxyphenyl)acetamide;dihydrate
CID 140999210
N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
CID 51193769
4-[2-(4-hydroxyanilino)propyl]phenol
CID 113322859
2-[[4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl]benzoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 3417680

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide?
The IUPAC name of 4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide (CID 97236104) is 4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide.
What is the SMILES notation for 4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide?
The canonical SMILES for 4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide is CC(=O)Nc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)cc2)cc1.
What is the InChIKey of 4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide?
The InChIKey is RXKHWHUTWXQCGM-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(11-14-3-9-17(22)10-4-14)19-18(23)15-5-7-16(8-6-15)20-13(2)21/h3-10,12,22H,11H2,1-2H3,(H,19,23)(H,20,21)/t12-/m0/s1.
What are the key properties of 4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide?
4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]benzamide is sourced from PubChem (CID 97236104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).