N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide

C14H21ClN2O2 — CID 119807128

IUPACN-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC(C)Oc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-10(8-16-3)14(18)17-9-11(2)19-13-6-4-5-12(15)7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyMXZRRIUZYPWTCN-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.08
Rot. Bonds7

About N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide

N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119807128) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119807128
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
SMILESCNCC(C)C(=O)NCC(C)Oc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-10(8-16-3)14(18)17-9-11(2)19-13-6-4-5-12(15)7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyMXZRRIUZYPWTCN-UHFFFAOYSA-N
XLogP2.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119807127
2-methyl-3-(methylamino)-N-[2-(3-methylphenoxy)propyl]propanamide;hydrochloride
CID 119804933
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3,3-dimethylbutanamide
CID 119807122
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119807149
3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride
CID 119336975
N-[2-(4-fluorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119804487
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119336981
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119336983
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202005
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
4-[2-(3-chlorophenoxy)propylcarbamoylamino]butanoic acid
CID 122004038

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide (CID 119807128) is N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide is CNCC(C)C(=O)NCC(C)Oc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is MXZRRIUZYPWTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10(8-16-3)14(18)17-9-11(2)19-13-6-4-5-12(15)7-13/h4-7,10-11,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide?
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 284.79 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119807128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).