2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide

C15H21ClN2O3 — CID 65488311

IUPAC2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide
SMILESCOc1ccccc1CC(C)N(C)C(=O)NC(=O)C(C)Cl
InChIInChI=1S/C15H21ClN2O3/c1-10(9-12-7-5-6-8-13(12)21-4)18(3)15(20)17-14(19)11(2)16/h5-8,10-11H,9H2,1-4H3,(H,17,19,20)
InChIKeyGYMDRYBXRHGAEY-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.42
Rot. Bonds5

About 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide

2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide (PubChem CID 65488311) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide
PubChem CID65488311
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide
SMILESCOc1ccccc1CC(C)N(C)C(=O)NC(=O)C(C)Cl
InChIInChI=1S/C15H21ClN2O3/c1-10(9-12-7-5-6-8-13(12)21-4)18(3)15(20)17-14(19)11(2)16/h5-8,10-11H,9H2,1-4H3,(H,17,19,20)
InChIKeyGYMDRYBXRHGAEY-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
CID 65486697
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
2-methoxy-N-[1-(2-methoxyphenyl)propan-2-yl]-N,2-dimethylpropanamide
CID 103029189
2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]propanehydrazide
CID 65486572
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide
CID 65488019
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpyrrolidine-1-carboxamide
CID 115665268
N-(cyanomethyl)-N'-[1-(2-methoxyphenyl)propan-2-yl]-N'-methyloxamide
CID 65486876
(2R)-2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N,3,3-trimethylbutanamide
CID 103930088

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide (CID 65488311) is 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide is COc1ccccc1CC(C)N(C)C(=O)NC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide?
The InChIKey is GYMDRYBXRHGAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-10(9-12-7-5-6-8-13(12)21-4)18(3)15(20)17-14(19)11(2)16/h5-8,10-11H,9H2,1-4H3,(H,17,19,20).
What are the key properties of 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide?
2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide has a molecular weight of 312.80 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide is sourced from PubChem (CID 65488311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).