1-(4-chlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]cyclobutane-1-carboxamide

C18H24ClNO3 — CID 91776750

IUPAC1-(4-chlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]cyclobutane-1-carboxamide
SMILESCCO[C@@H]1COCC[C@H]1NC(=O)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C18H24ClNO3/c1-2-23-16-12-22-11-8-15(16)20-17(21)18(9-3-10-18)13-4-6-14(19)7-5-13/h4-7,15-16H,2-3,8-12H2,1H3,(H,20,21)/t15-,16-/m1/s1
InChIKeyKEJAVWUYCKWLBA-HZPDHXFCSA-N
MW337.85 g/mol
LogP3.07
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]cyclobutane-1-carboxamide

1-(4-chlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]cyclobutane-1-carboxamide (PubChem CID 91776750) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]cyclobutane-1-carboxamide
PubChem CID91776750
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Name1-(4-chlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]cyclobutane-1-carboxamide
SMILESCCO[C@@H]1COCC[C@H]1NC(=O)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C18H24ClNO3/c1-2-23-16-12-22-11-8-15(16)20-17(21)18(9-3-10-18)13-4-6-14(19)7-5-13/h4-7,15-16H,2-3,8-12H2,1H3,(H,20,21)/t15-,16-/m1/s1
InChIKeyKEJAVWUYCKWLBA-HZPDHXFCSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]acetamide
CID 91774837
N-[(3S,4R)-3-[2-(dimethylamino)-2-oxoethoxy]oxan-4-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 91797893
N-(3-ethoxyoxan-4-yl)acetamide
CID 131089007
1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
1-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)cyclopentane-1-carboxamide
CID 78767408
1-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 120573779
N-[(3S,4R)-3-ethoxyoxan-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 91794402
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 120553378
N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide
CID 156608381
1-(3,4-dimethoxyphenyl)-N-[(3R,4R)-4-hydroxyoxan-3-yl]cyclopentane-1-carboxamide
CID 91791815
N-[(3S,4R)-3-ethoxyoxan-4-yl]-4-morpholin-4-ylbenzamide
CID 91764505
benzene;1-(4-chlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
CID 143174173

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]cyclobutane-1-carboxamide (CID 91776750) is 1-(4-chlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]cyclobutane-1-carboxamide is CCO[C@@H]1COCC[C@H]1NC(=O)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]cyclobutane-1-carboxamide?
The InChIKey is KEJAVWUYCKWLBA-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H24ClNO3/c1-2-23-16-12-22-11-8-15(16)20-17(21)18(9-3-10-18)13-4-6-14(19)7-5-13/h4-7,15-16H,2-3,8-12H2,1H3,(H,20,21)/t15-,16-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]cyclobutane-1-carboxamide?
1-(4-chlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]cyclobutane-1-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(3S,4R)-3-ethoxyoxan-4-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 91776750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).