3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide

C16H24N2O2 — CID 47098552

IUPAC3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(=O)NCCC(=O)NCCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)15-6-4-14(5-7-15)8-10-18-16(20)9-11-17-13(3)19/h4-7,12H,8-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyRWNCDSAHEMRCBS-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.99
Rot. Bonds7

About 3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide

3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide (PubChem CID 47098552) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
PubChem CID47098552
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(=O)NCCC(=O)NCCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-12(2)15-6-4-14(5-7-15)8-10-18-16(20)9-11-17-13(3)19/h4-7,12H,8-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyRWNCDSAHEMRCBS-UHFFFAOYSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 94689915
4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide
CID 24683750
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
3-[4-(4-propan-2-ylphenyl)butanoylamino]propanoic acid
CID 82224317
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 119509353
3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119322586
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24538291
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
N-[2-(4-chlorophenyl)ethyl]-2-(4-propan-2-ylanilino)acetamide
CID 109002953
1-[2-(4-propan-2-ylphenyl)ethylamino]propan-2-one
CID 115234952
N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)propanamide
CID 155949549
N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 41455606

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide?
The IUPAC name of 3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide (CID 47098552) is 3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide?
The canonical SMILES for 3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide is CC(=O)NCCC(=O)NCCc1ccc(C(C)C)cc1.
What is the InChIKey of 3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide?
The InChIKey is RWNCDSAHEMRCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)15-6-4-14(5-7-15)8-10-18-16(20)9-11-17-13(3)19/h4-7,12H,8-11H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide?
3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 47098552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).