4-[2-(2-chloro-4-methoxyphenyl)ethyl-propylamino]butanamide

C16H25ClN2O2 — CID 21468793

IUPAC4-[2-(2-chloro-4-methoxyphenyl)ethyl-propylamino]butanamide
SMILESCCCN(CCCC(N)=O)CCc1ccc(OC)cc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-3-9-19(10-4-5-16(18)20)11-8-13-6-7-14(21-2)12-15(13)17/h6-7,12H,3-5,8-11H2,1-2H3,(H2,18,20)
InChIKeyFPVTUISUPPJEAY-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.87
Rot. Bonds10

About 4-[2-(2-chloro-4-methoxyphenyl)ethyl-propylamino]butanamide

4-[2-(2-chloro-4-methoxyphenyl)ethyl-propylamino]butanamide (PubChem CID 21468793) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 4-[2-(2-chloro-4-methoxyphenyl)ethyl-propylamino]butanamide.

Molecular Properties

Compound Name4-[2-(2-chloro-4-methoxyphenyl)ethyl-propylamino]butanamide
PubChem CID21468793
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name4-[2-(2-chloro-4-methoxyphenyl)ethyl-propylamino]butanamide
SMILESCCCN(CCCC(N)=O)CCc1ccc(OC)cc1Cl
InChIInChI=1S/C16H25ClN2O2/c1-3-9-19(10-4-5-16(18)20)11-8-13-6-7-14(21-2)12-15(13)17/h6-7,12H,3-5,8-11H2,1-2H3,(H2,18,20)
InChIKeyFPVTUISUPPJEAY-UHFFFAOYSA-N
XLogP2.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-chloro-4-methoxyphenyl)ethyl-propylamino]butanamide;oxalic acid
CID 21468792
N-[2-(2-chloro-4-methoxyphenyl)ethyl]-N-methyl-2-oxopropanamide
CID 115176047
1-(3-bromopropyl)-2-chloro-4-methoxybenzene
CID 83942409
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098
2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide
CID 110769985
1-amino-3-[2-(2-chloro-4-methoxyphenyl)ethyl]urea
CID 115192925
3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide
CID 115153007
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
2-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]acetamide
CID 96676269
ethyl 2-[(2-chloro-4-methoxyphenyl)methyl]-3-oxobutanoate
CID 58836585
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
N'-[2-(2-chloro-4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115195439

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-4-methoxyphenyl)ethyl-propylamino]butanamide?
The IUPAC name of 4-[2-(2-chloro-4-methoxyphenyl)ethyl-propylamino]butanamide (CID 21468793) is 4-[2-(2-chloro-4-methoxyphenyl)ethyl-propylamino]butanamide.
What is the SMILES notation for 4-[2-(2-chloro-4-methoxyphenyl)ethyl-propylamino]butanamide?
The canonical SMILES for 4-[2-(2-chloro-4-methoxyphenyl)ethyl-propylamino]butanamide is CCCN(CCCC(N)=O)CCc1ccc(OC)cc1Cl.
What is the InChIKey of 4-[2-(2-chloro-4-methoxyphenyl)ethyl-propylamino]butanamide?
The InChIKey is FPVTUISUPPJEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-3-9-19(10-4-5-16(18)20)11-8-13-6-7-14(21-2)12-15(13)17/h6-7,12H,3-5,8-11H2,1-2H3,(H2,18,20).
What are the key properties of 4-[2-(2-chloro-4-methoxyphenyl)ethyl-propylamino]butanamide?
4-[2-(2-chloro-4-methoxyphenyl)ethyl-propylamino]butanamide has a molecular weight of 312.84 g/mol, XLogP of 2.87, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-4-methoxyphenyl)ethyl-propylamino]butanamide is sourced from PubChem (CID 21468793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).