N-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

C19H27ClN2O4 — CID 113134403

IUPACN-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(N(CCC(=O)N2CCCCCC2)C(C)=O)c(OC)cc1Cl
InChIInChI=1S/C19H27ClN2O4/c1-14(23)22(11-8-19(24)21-9-6-4-5-7-10-21)16-13-17(25-2)15(20)12-18(16)26-3/h12-13H,4-11H2,1-3H3
InChIKeyAGTYJYXNQPPOSY-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.50
Rot. Bonds6

About N-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

N-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (PubChem CID 113134403) has the molecular formula C19H27ClN2O4 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
PubChem CID113134403
Molecular FormulaC19H27ClN2O4
Molecular Weight382.89 g/mol
Exact Mass382.17
IUPAC NameN-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(N(CCC(=O)N2CCCCCC2)C(C)=O)c(OC)cc1Cl
InChIInChI=1S/C19H27ClN2O4/c1-14(23)22(11-8-19(24)21-9-6-4-5-7-10-21)16-13-17(25-2)15(20)12-18(16)26-3/h12-13H,4-11H2,1-3H3
InChIKeyAGTYJYXNQPPOSY-UHFFFAOYSA-N
XLogP3.50
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134401
N-(4-chloro-2-methoxy-5-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134457
methyl 2-[acetyl-(3-oxo-3-piperidin-1-ylpropyl)amino]benzoate
CID 113131207
N-(2,4-difluorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113133399
N-(2-methoxy-5-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113129537
N-(2-ethoxyphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 113129221
3-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-piperidin-1-ylpropan-1-one
CID 47027251
N-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 113180300
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2,5-dichloro-4-methoxyphenyl)ethanone
CID 110805650
N-(2,5-dichlorophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]acetamide
CID 113133960
N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113174510
3-(N-acetyl-4-chloro-2,5-dimethoxyanilino)-N-(3-fluorophenyl)propanamide
CID 113134411

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The IUPAC name of N-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (CID 113134403) is N-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is COc1cc(N(CCC(=O)N2CCCCCC2)C(C)=O)c(OC)cc1Cl.
What is the InChIKey of N-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The InChIKey is AGTYJYXNQPPOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O4/c1-14(23)22(11-8-19(24)21-9-6-4-5-7-10-21)16-13-17(25-2)15(20)12-18(16)26-3/h12-13H,4-11H2,1-3H3.
What are the key properties of N-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide has a molecular weight of 382.89 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113134403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).