N-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide

C18H24ClNO3 — CID 95286395

IUPACN-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESO=C(CC[C@H]1CCCO1)NC1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C18H24ClNO3/c19-15-5-3-14(4-6-15)18(9-12-22-13-10-18)20-17(21)8-7-16-2-1-11-23-16/h3-6,16H,1-2,7-13H2,(H,20,21)/t16-/m1/s1
InChIKeyATONOJKSPJHTCI-MRXNPFEDSA-N
MW337.85 g/mol
LogP3.42
Rot. Bonds5

About N-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide

N-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide (PubChem CID 95286395) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide
PubChem CID95286395
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC NameN-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESO=C(CC[C@H]1CCCO1)NC1(c2ccc(Cl)cc2)CCOCC1
InChIInChI=1S/C18H24ClNO3/c19-15-5-3-14(4-6-15)18(9-12-22-13-10-18)20-17(21)8-7-16-2-1-11-23-16/h3-6,16H,1-2,7-13H2,(H,20,21)/t16-/m1/s1
InChIKeyATONOJKSPJHTCI-MRXNPFEDSA-N
XLogP3.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 97083131
N-[4-(aminomethyl)oxan-4-yl]-3-(oxolan-2-yl)propanamide
CID 106297142
N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 81027186
N-[1-(4-chlorophenyl)cyclopropyl]butanamide
CID 113091058
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-(oxolan-2-yl)propanamide
CID 47874897
4-amino-N-[1-(4-chlorophenyl)cyclopentyl]butanamide
CID 119313669
N-(2-chlorophenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39087895
N-(3-chloro-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956717
2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide
CID 166403727
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(oxolan-2-yl)propanamide
CID 56785183
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589546
N-(2-amino-5-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 63951699

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide?
The IUPAC name of N-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide (CID 95286395) is N-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide?
The canonical SMILES for N-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide is O=C(CC[C@H]1CCCO1)NC1(c2ccc(Cl)cc2)CCOCC1.
What is the InChIKey of N-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide?
The InChIKey is ATONOJKSPJHTCI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24ClNO3/c19-15-5-3-14(4-6-15)18(9-12-22-13-10-18)20-17(21)8-7-16-2-1-11-23-16/h3-6,16H,1-2,7-13H2,(H,20,21)/t16-/m1/s1.
What are the key properties of N-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide?
N-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide has a molecular weight of 337.85 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide is sourced from PubChem (CID 95286395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).