N-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide

C13H19ClN2O2 — CID 112515048

IUPACN-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide
SMILESCNCCC(=O)NC(C)c1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClN2O2/c1-9(16-13(17)6-7-15-2)11-8-10(14)4-5-12(11)18-3/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyNYXJMAQBQRNHRL-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.14
Rot. Bonds6

About N-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide

N-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide (PubChem CID 112515048) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide
PubChem CID112515048
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide
SMILESCNCCC(=O)NC(C)c1cc(Cl)ccc1OC
InChIInChI=1S/C13H19ClN2O2/c1-9(16-13(17)6-7-15-2)11-8-10(14)4-5-12(11)18-3/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyNYXJMAQBQRNHRL-UHFFFAOYSA-N
XLogP2.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide
CID 112514935
3-(4-chlorophenyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 31948443
2-(4-chloro-2-fluorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133230731
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 81387871
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854887
3-(2,4-dichlorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 100609739
2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
CID 43701037
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 100502725
3-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 51078699
(5-chloro-2-methoxyphenyl)methyl-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-methylazanium
CID 9137393
3-(3,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 133219990

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide?
The IUPAC name of N-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide (CID 112515048) is N-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide.
What is the SMILES notation for N-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide?
The canonical SMILES for N-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide is CNCCC(=O)NC(C)c1cc(Cl)ccc1OC.
What is the InChIKey of N-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide?
The InChIKey is NYXJMAQBQRNHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9(16-13(17)6-7-15-2)11-8-10(14)4-5-12(11)18-3/h4-5,8-9,15H,6-7H2,1-3H3,(H,16,17).
What are the key properties of N-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide?
N-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide has a molecular weight of 270.76 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-methoxyphenyl)ethyl]-3-(methylamino)propanamide is sourced from PubChem (CID 112515048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).