2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide

C15H22N2O3 — CID 60728820

IUPAC2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)Nc1ccccc1C(C)O)C(C)C
InChIInChI=1S/C15H22N2O3/c1-9(2)14(16-11(4)19)15(20)17-13-8-6-5-7-12(13)10(3)18/h5-10,14,18H,1-4H3,(H,16,19)(H,17,20)
InChIKeyVDFPDWMFMOMLRT-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.84
Rot. Bonds5

About 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide

2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide (PubChem CID 60728820) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide
PubChem CID60728820
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide
SMILESCC(=O)NC(C(=O)Nc1ccccc1C(C)O)C(C)C
InChIInChI=1S/C15H22N2O3/c1-9(2)14(16-11(4)19)15(20)17-13-8-6-5-7-12(13)10(3)18/h5-10,14,18H,1-4H3,(H,16,19)(H,17,20)
InChIKeyVDFPDWMFMOMLRT-UHFFFAOYSA-N
XLogP1.84
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[2-(1-hydroxyethyl)phenyl]propanamide
CID 54963356
2-acetamido-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 54963204
3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62727616
(2S)-3-methyl-2-[(2-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 28508833
3-(ethylamino)-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62838572
(2S)-2-acetamido-N-[(1S)-1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 93238063
(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 8894212
1-[2-(1-hydroxyethyl)phenyl]-3-(4-methylphenyl)urea
CID 43508574
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
N-[2-(1-hydroxyethyl)phenyl]butanamide
CID 43508507
2-acetamido-N-(4-bromophenyl)-3-methylbutanamide
CID 17391080

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide?
The IUPAC name of 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide (CID 60728820) is 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide?
The canonical SMILES for 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide is CC(=O)NC(C(=O)Nc1ccccc1C(C)O)C(C)C.
What is the InChIKey of 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide?
The InChIKey is VDFPDWMFMOMLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9(2)14(16-11(4)19)15(20)17-13-8-6-5-7-12(13)10(3)18/h5-10,14,18H,1-4H3,(H,16,19)(H,17,20).
What are the key properties of 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide?
2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide has a molecular weight of 278.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(1-hydroxyethyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 60728820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).