3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide

C15H23ClN2O2 — CID 103910437

IUPAC3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O2/c1-12(11-13-3-5-14(16)6-4-13)17-8-7-15(19)18-9-10-20-2/h3-6,12,17H,7-11H2,1-2H3,(H,18,19)
InChIKeyRJTZTIJSHUECDE-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.01
Rot. Bonds9

About 3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide

3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 103910437) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide
PubChem CID103910437
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H23ClN2O2/c1-12(11-13-3-5-14(16)6-4-13)17-8-7-15(19)18-9-10-20-2/h3-6,12,17H,7-11H2,1-2H3,(H,18,19)
InChIKeyRJTZTIJSHUECDE-UHFFFAOYSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-[1-(4-methoxyphenyl)propan-2-ylamino]propanamide
CID 115711920
N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine
CID 103910375
methyl 4-[1-(4-chlorophenyl)propan-2-ylamino]butanoate
CID 103917108
N-(2-methoxyethyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 78814646
N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103910607
1-[2-(4-chlorophenyl)ethyl]-3-(2-methoxyethyl)urea
CID 47133600
3-(1-phenylpropan-2-ylamino)-N-propylpropanamide
CID 55148984
N-(2-methoxyethyl)-3-[(4-methoxy-4-methylpentan-2-yl)amino]propanamide
CID 113260438
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-2-methoxyacetamide
CID 51948159
1-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197717
tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate
CID 103390878
2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide
CID 17225063

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide (CID 103910437) is 3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNC(C)Cc1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is RJTZTIJSHUECDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-12(11-13-3-5-14(16)6-4-13)17-8-7-15(19)18-9-10-20-2/h3-6,12,17H,7-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide?
3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 298.81 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 103910437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).