2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride

C12H18Cl2N2O2 — CID 120983262

IUPAC2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(C)c1cccc(Cl)c1.Cl
InChIInChI=1S/C12H17ClN2O2.ClH/c1-8(9-4-3-5-10(13)6-9)15-12(16)11(14)7-17-2;/h3-6,8,11H,7,14H2,1-2H3,(H,15,16);1H
InChIKeyBQOICPWVRVCXNU-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.91
Rot. Bonds5

About 2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120983262) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is 2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
PubChem CID120983262
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC Name2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)NC(C)c1cccc(Cl)c1.Cl
InChIInChI=1S/C12H17ClN2O2.ClH/c1-8(9-4-3-5-10(13)6-9)15-12(16)11(14)7-17-2;/h3-6,8,11H,7,14H2,1-2H3,(H,15,16);1H
InChIKeyBQOICPWVRVCXNU-UHFFFAOYSA-N
XLogP1.91
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(3-chlorophenyl)propyl]-3-methoxypropanamide
CID 81082683
(2S)-2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]pentanamide
CID 93467019
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
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2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
CID 81083665
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]hexanamide
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2-amino-N-[1-(2,5-dichlorophenyl)ethyl]-3-methoxypropanamide
CID 120985367
3-amino-N-[1-(3-chlorophenyl)ethyl]butanamide;hydrochloride
CID 119685358
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3,3-dimethylbutanamide
CID 113353557
4-amino-N-[1-(3-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559119
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 81371825
2-(carbamoylamino)-N-[1-(3-chlorophenyl)ethyl]propanamide
CID 47097502
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-3-methoxypropanamide
CID 81359920

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride (CID 120983262) is 2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)NC(C)c1cccc(Cl)c1.Cl.
What is the InChIKey of 2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is BQOICPWVRVCXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2.ClH/c1-8(9-4-3-5-10(13)6-9)15-12(16)11(14)7-17-2;/h3-6,8,11H,7,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 293.19 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-chlorophenyl)ethyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120983262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).