3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide

C16H23ClN2O2 — CID 113116139

IUPAC3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
SMILESCCC(C)N(CCC(=O)NCc1ccccc1Cl)C(C)=O
InChIInChI=1S/C16H23ClN2O2/c1-4-12(2)19(13(3)20)10-9-16(21)18-11-14-7-5-6-8-15(14)17/h5-8,12H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyOLXZDIXTZQWBSI-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.99
Rot. Bonds7

About 3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide

3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 113116139) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID113116139
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
SMILESCCC(C)N(CCC(=O)NCc1ccccc1Cl)C(C)=O
InChIInChI=1S/C16H23ClN2O2/c1-4-12(2)19(13(3)20)10-9-16(21)18-11-14-7-5-6-8-15(14)17/h5-8,12H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyOLXZDIXTZQWBSI-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(butan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116141
3-[[3-[(2-chlorophenyl)methylamino]-3-oxopropyl]-methylamino]propanoic acid
CID 119912081
N-[(2-chlorophenyl)methyl]-4-oxopentanamide
CID 60636911
3-[acetyl(cyclopentyl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113116338
N-[(2-chlorophenyl)methyl]-3-(N-ethylanilino)propanamide
CID 109021380
3-[benzyl(propan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 109021357
3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113125531
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113135356
3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113116146
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113133973
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide (CID 113116139) is 3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide is CCC(C)N(CCC(=O)NCc1ccccc1Cl)C(C)=O.
What is the InChIKey of 3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is OLXZDIXTZQWBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-4-12(2)19(13(3)20)10-9-16(21)18-11-14-7-5-6-8-15(14)17/h5-8,12H,4,9-11H2,1-3H3,(H,18,21).
What are the key properties of 3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide?
3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide has a molecular weight of 310.82 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 113116139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).