2-acetamido-N-[(2-chloro-4-propan-2-ylphenyl)methyl]-3-hydroxypropanamide

C15H21ClN2O3 — CID 20601508

IUPAC2-acetamido-N-[(2-chloro-4-propan-2-ylphenyl)methyl]-3-hydroxypropanamide
SMILESCC(=O)NC(CO)C(=O)NCc1ccc(C(C)C)cc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-9(2)11-4-5-12(13(16)6-11)7-17-15(21)14(8-19)18-10(3)20/h4-6,9,14,19H,7-8H2,1-3H3,(H,17,21)(H,18,20)
InChIKeySJDUZSYRXPWRTN-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.58
Rot. Bonds6

About 2-acetamido-N-[(2-chloro-4-propan-2-ylphenyl)methyl]-3-hydroxypropanamide

2-acetamido-N-[(2-chloro-4-propan-2-ylphenyl)methyl]-3-hydroxypropanamide (PubChem CID 20601508) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-acetamido-N-[(2-chloro-4-propan-2-ylphenyl)methyl]-3-hydroxypropanamide.

Molecular Properties

Compound Name2-acetamido-N-[(2-chloro-4-propan-2-ylphenyl)methyl]-3-hydroxypropanamide
PubChem CID20601508
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-acetamido-N-[(2-chloro-4-propan-2-ylphenyl)methyl]-3-hydroxypropanamide
SMILESCC(=O)NC(CO)C(=O)NCc1ccc(C(C)C)cc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-9(2)11-4-5-12(13(16)6-11)7-17-15(21)14(8-19)18-10(3)20/h4-6,9,14,19H,7-8H2,1-3H3,(H,17,21)(H,18,20)
InChIKeySJDUZSYRXPWRTN-UHFFFAOYSA-N
XLogP1.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(2-chloro-4-propan-2-ylphenyl)methyl]-3-hydroxypropanamide?
The IUPAC name of 2-acetamido-N-[(2-chloro-4-propan-2-ylphenyl)methyl]-3-hydroxypropanamide (CID 20601508) is 2-acetamido-N-[(2-chloro-4-propan-2-ylphenyl)methyl]-3-hydroxypropanamide.
What is the SMILES notation for 2-acetamido-N-[(2-chloro-4-propan-2-ylphenyl)methyl]-3-hydroxypropanamide?
The canonical SMILES for 2-acetamido-N-[(2-chloro-4-propan-2-ylphenyl)methyl]-3-hydroxypropanamide is CC(=O)NC(CO)C(=O)NCc1ccc(C(C)C)cc1Cl.
What is the InChIKey of 2-acetamido-N-[(2-chloro-4-propan-2-ylphenyl)methyl]-3-hydroxypropanamide?
The InChIKey is SJDUZSYRXPWRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-9(2)11-4-5-12(13(16)6-11)7-17-15(21)14(8-19)18-10(3)20/h4-6,9,14,19H,7-8H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of 2-acetamido-N-[(2-chloro-4-propan-2-ylphenyl)methyl]-3-hydroxypropanamide?
2-acetamido-N-[(2-chloro-4-propan-2-ylphenyl)methyl]-3-hydroxypropanamide has a molecular weight of 312.80 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(2-chloro-4-propan-2-ylphenyl)methyl]-3-hydroxypropanamide is sourced from PubChem (CID 20601508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).