N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide

C18H26ClNO4 — CID 55718922

IUPACN-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESCC(C)COc1ccc(NC(=O)CCOCC2CCCO2)cc1Cl
InChIInChI=1S/C18H26ClNO4/c1-13(2)11-24-17-6-5-14(10-16(17)19)20-18(21)7-9-22-12-15-4-3-8-23-15/h5-6,10,13,15H,3-4,7-9,11-12H2,1-2H3,(H,20,21)
InChIKeyWHDLKIUGAONJDB-UHFFFAOYSA-N
MW355.86 g/mol
LogP3.90
Rot. Bonds9

About N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide

N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide (PubChem CID 55718922) has the molecular formula C18H26ClNO4 and a molecular weight of 355.86 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
PubChem CID55718922
Molecular FormulaC18H26ClNO4
Molecular Weight355.86 g/mol
Exact Mass355.16
IUPAC NameN-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
SMILESCC(C)COc1ccc(NC(=O)CCOCC2CCCO2)cc1Cl
InChIInChI=1S/C18H26ClNO4/c1-13(2)11-24-17-6-5-14(10-16(17)19)20-18(21)7-9-22-12-15-4-3-8-23-15/h5-6,10,13,15H,3-4,7-9,11-12H2,1-2H3,(H,20,21)
InChIKeyWHDLKIUGAONJDB-UHFFFAOYSA-N
XLogP3.90
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.86
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55719039
N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 78882748
N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55719612
N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 94025746
2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid
CID 119224790
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
3-(oxolan-2-ylmethoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55753164
2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid
CID 129469734
2-[2-chloro-4-[[2-(oxan-2-yl)acetyl]amino]phenoxy]acetic acid
CID 120688629
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55754467
3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119715601
2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786697

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide?
The IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide (CID 55718922) is N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide.
What is the SMILES notation for N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide?
The canonical SMILES for N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide is CC(C)COc1ccc(NC(=O)CCOCC2CCCO2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide?
The InChIKey is WHDLKIUGAONJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO4/c1-13(2)11-24-17-6-5-14(10-16(17)19)20-18(21)7-9-22-12-15-4-3-8-23-15/h5-6,10,13,15H,3-4,7-9,11-12H2,1-2H3,(H,20,21).
What are the key properties of N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide?
N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide has a molecular weight of 355.86 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide is sourced from PubChem (CID 55718922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).