N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide

C15H20ClNO3 — CID 94025746

IUPACN-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCOC[C@@H]1CCCO1
InChIInChI=1S/C15H20ClNO3/c1-11-4-5-12(16)9-14(11)17-15(18)6-8-19-10-13-3-2-7-20-13/h4-5,9,13H,2-3,6-8,10H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyRZFVHAYOTOGNRZ-ZDUSSCGKSA-N
MW297.78 g/mol
LogP3.17
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide

N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide (PubChem CID 94025746) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide
PubChem CID94025746
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC NameN-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCOC[C@@H]1CCCO1
InChIInChI=1S/C15H20ClNO3/c1-11-4-5-12(16)9-14(11)17-15(18)6-8-19-10-13-3-2-7-20-13/h4-5,9,13H,2-3,6-8,10H2,1H3,(H,17,18)/t13-/m0/s1
InChIKeyRZFVHAYOTOGNRZ-ZDUSSCGKSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
ethyl 4-[5-chloro-2-[[(2S)-oxolan-2-yl]methoxy]anilino]-4-oxobutanoate
CID 52505583
N-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide
CID 103603858
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240
N-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride
CID 120603852
N-(2-chloro-4-methylphenyl)-3-[[N'-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]amino]propanamide
CID 111408657
N-(5-chloro-2-methylphenyl)-2-[1-(oxolan-2-yl)ethylamino]acetamide
CID 43626479
N-(5-bromo-6-methyl-2-pyridinyl)-3-(oxolan-2-ylmethoxy)propanamide
CID 71985293
N-(2-chloro-4-methylphenyl)-3-[[N'-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111408656
N-(2,5-dimethylphenyl)-3-(oxolan-2-ylmethylamino)propanamide
CID 109016066
N-[3-chloro-4-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55718922
N-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 78882748

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide (CID 94025746) is N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide is Cc1ccc(Cl)cc1NC(=O)CCOC[C@@H]1CCCO1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The InChIKey is RZFVHAYOTOGNRZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-11-4-5-12(16)9-14(11)17-15(18)6-8-19-10-13-3-2-7-20-13/h4-5,9,13H,2-3,6-8,10H2,1H3,(H,17,18)/t13-/m0/s1.
What are the key properties of N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide?
N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide has a molecular weight of 297.78 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]propanamide is sourced from PubChem (CID 94025746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).