N-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide

C15H22ClNO3 — CID 119071472

IUPACN-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide
SMILESCCCOc1ccc(Cl)cc1CNC(=O)C(C)OCC
InChIInChI=1S/C15H22ClNO3/c1-4-8-20-14-7-6-13(16)9-12(14)10-17-15(18)11(3)19-5-2/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,17,18)
InChIKeyVWEUNJJRYFTVLR-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.17
Rot. Bonds8

About N-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide

N-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide (PubChem CID 119071472) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is N-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide.

Molecular Properties

Compound NameN-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide
PubChem CID119071472
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC NameN-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide
SMILESCCCOc1ccc(Cl)cc1CNC(=O)C(C)OCC
InChIInChI=1S/C15H22ClNO3/c1-4-8-20-14-7-6-13(16)9-12(14)10-17-15(18)11(3)19-5-2/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,17,18)
InChIKeyVWEUNJJRYFTVLR-UHFFFAOYSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloro-2-propoxyphenyl)methylamino]propanoic acid
CID 102536603
N-[(5-chloro-2-propoxyphenyl)methyl]propan-1-amine
CID 29224432
2-[4-chloro-2-(propylaminomethyl)phenoxy]-N-propylpropanamide
CID 43277990
2-(bromomethyl)-4-chloro-1-propoxybenzene
CID 43142008
2-[4-chloro-2-[(propan-2-ylamino)methyl]phenoxy]-N-propylpropanamide
CID 43278038
N-[(2-butoxy-5-chlorophenyl)methyl]propan-2-amine
CID 43278029
(2S)-2-amino-N-[(5-chloro-2-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119296049
1-(5-chloro-2-propoxyphenyl)-2-methylheptan-4-one
CID 83933394
N-[(5-chloro-2-propoxyphenyl)methyl]pentan-1-amine
CID 29224434
N-[(5-chloro-2-propoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
CID 154900518
(2R)-2-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]propanamide
CID 119340956
3-[(4-chloro-2-ethoxyphenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 122066220

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide?
The IUPAC name of N-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide (CID 119071472) is N-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide.
What is the SMILES notation for N-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide?
The canonical SMILES for N-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide is CCCOc1ccc(Cl)cc1CNC(=O)C(C)OCC.
What is the InChIKey of N-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide?
The InChIKey is VWEUNJJRYFTVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-4-8-20-14-7-6-13(16)9-12(14)10-17-15(18)11(3)19-5-2/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,17,18).
What are the key properties of N-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide?
N-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide has a molecular weight of 299.80 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-propoxyphenyl)methyl]-2-ethoxypropanamide is sourced from PubChem (CID 119071472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).