3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide

C15H21ClN2O2 — CID 29298588

IUPAC3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)CCNC(C)=O
InChIInChI=1S/C15H21ClN2O2/c1-4-11-6-7-13(16)12(5-2)15(11)18-14(20)8-9-17-10(3)19/h6-7H,4-5,8-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyUGDQWCRTCSPAJP-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.93
Rot. Bonds6

About 3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide

3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide (PubChem CID 29298588) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide
PubChem CID29298588
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)CCNC(C)=O
InChIInChI=1S/C15H21ClN2O2/c1-4-11-6-7-13(16)12(5-2)15(11)18-14(20)8-9-17-10(3)19/h6-7H,4-5,8-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyUGDQWCRTCSPAJP-UHFFFAOYSA-N
XLogP2.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2,6-diethylphenyl)-3-propylurea
CID 47108166
4-chloro-N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide
CID 26198654
N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide
CID 39768886
N-(3-chloro-2,6-diethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 2448170
3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide
CID 51310542
N-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 38013271
4-(3-acetamidopropanoylamino)-3,5-dichlorobenzoic acid
CID 82830625
N-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide
CID 112770384
2-bromo-N-(3-chloro-2,6-diethylphenyl)butanamide
CID 62855747
N-(3-chloro-2,6-diethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16593772
1-(3-chloro-2,6-diethylphenyl)-3-cyclopropylurea
CID 47197433
2-[(3-chloro-2,6-diethylphenyl)carbamoyl-methylamino]-N-propan-2-ylacetamide
CID 56812801

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide (CID 29298588) is 3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide is CCc1ccc(Cl)c(CC)c1NC(=O)CCNC(C)=O.
What is the InChIKey of 3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide?
The InChIKey is UGDQWCRTCSPAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-4-11-6-7-13(16)12(5-2)15(11)18-14(20)8-9-17-10(3)19/h6-7H,4-5,8-9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide?
3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide has a molecular weight of 296.80 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide is sourced from PubChem (CID 29298588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).