3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide

C15H21ClN2O2 — CID 113115032

IUPAC3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
SMILESCCCN(CCC(=O)Nc1cccc(Cl)c1C)C(C)=O
InChIInChI=1S/C15H21ClN2O2/c1-4-9-18(12(3)19)10-8-15(20)17-14-7-5-6-13(16)11(14)2/h5-7H,4,8-10H2,1-3H3,(H,17,20)
InChIKeyVCBXZXUQQRMLFU-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.24
Rot. Bonds6

About 3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide

3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide (PubChem CID 113115032) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
PubChem CID113115032
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
SMILESCCCN(CCC(=O)Nc1cccc(Cl)c1C)C(C)=O
InChIInChI=1S/C15H21ClN2O2/c1-4-9-18(12(3)19)10-8-15(20)17-14-7-5-6-13(16)11(14)2/h5-7H,4,8-10H2,1-3H3,(H,17,20)
InChIKeyVCBXZXUQQRMLFU-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113115015
3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide
CID 113115004
3-[acetyl(pyridin-4-ylmethyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 113120650
3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113115826
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113115094
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
3-(3-chloro-2-methylphenyl)-1,1-dipropylthiourea
CID 17379704
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
3-[acetyl(propyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115045
N-(3-chloro-2-methylphenyl)-N',N'-diethylpropanediamide
CID 108951094

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide (CID 113115032) is 3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide is CCCN(CCC(=O)Nc1cccc(Cl)c1C)C(C)=O.
What is the InChIKey of 3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide?
The InChIKey is VCBXZXUQQRMLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-4-9-18(12(3)19)10-8-15(20)17-14-7-5-6-13(16)11(14)2/h5-7H,4,8-10H2,1-3H3,(H,17,20).
What are the key properties of 3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide?
3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide has a molecular weight of 296.80 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 113115032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).