N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide

C23H31N3O2 — CID 109041113

IUPACN-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCNc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C23H31N3O2/c1-15(2)20-10-7-11-21(16(3)4)23(20)24-13-12-22(28)26-19-9-6-8-18(14-19)25-17(5)27/h6-11,14-16,24H,12-13H2,1-5H3,(H,25,27)(H,26,28)
InChIKeySYRMHENMLNEUHA-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.33
Rot. Bonds8

About N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide

N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide (PubChem CID 109041113) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide
PubChem CID109041113
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCNc2c(C(C)C)cccc2C(C)C)c1
InChIInChI=1S/C23H31N3O2/c1-15(2)20-10-7-11-21(16(3)4)23(20)24-13-12-22(28)26-19-9-6-8-18(14-19)25-17(5)27/h6-11,14-16,24H,12-13H2,1-5H3,(H,25,27)(H,26,28)
InChIKeySYRMHENMLNEUHA-UHFFFAOYSA-N
XLogP5.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-[2,6-di(propan-2-yl)anilino]acetamide
CID 109009962
2-(3-acetamidoanilino)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 109009934
3-[2,6-di(propan-2-yl)anilino]-N-(4-methoxyphenyl)propanamide
CID 109039645
N-(3-acetamidophenyl)-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108954586
N-(3-acetamidophenyl)-3-(2-methylanilino)propanamide
CID 51149887
3-(3-acetamidoanilino)-N-(2,6-difluorophenyl)propanamide
CID 109041187
N-(3-acetamidophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108954290
3-(3-acetamidoanilino)-N-(4-chlorophenyl)propanamide
CID 109038130
3-(3-acetamidoanilino)-N-(3,4-difluorophenyl)propanamide
CID 109041188
N-butan-2-yl-3-[2,6-di(propan-2-yl)anilino]propanamide
CID 109013041
3-(3-acetamidoanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 109036992
3-(4-chloroanilino)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 139806981

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide (CID 109041113) is N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide is CC(=O)Nc1cccc(NC(=O)CCNc2c(C(C)C)cccc2C(C)C)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide?
The InChIKey is SYRMHENMLNEUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-15(2)20-10-7-11-21(16(3)4)23(20)24-13-12-22(28)26-19-9-6-8-18(14-19)25-17(5)27/h6-11,14-16,24H,12-13H2,1-5H3,(H,25,27)(H,26,28).
What are the key properties of N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide?
N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide has a molecular weight of 381.52 g/mol, XLogP of 5.33, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-[2,6-di(propan-2-yl)anilino]propanamide is sourced from PubChem (CID 109041113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).