1-(4-chloro-2-methoxyphenyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]cyclobutane-1-carboxamide

C27H28ClNO3 — CID 66868466

IUPAC1-(4-chloro-2-methoxyphenyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCOc1cc(Cl)ccc1C1(C(=O)NCCc2ccc(OCc3ccccc3)cc2)CCC1
InChIInChI=1S/C27H28ClNO3/c1-31-25-18-22(28)10-13-24(25)27(15-5-16-27)26(30)29-17-14-20-8-11-23(12-9-20)32-19-21-6-3-2-4-7-21/h2-4,6-13,18H,5,14-17,19H2,1H3,(H,29,30)
InChIKeyQCRXRUKNCYBHHE-UHFFFAOYSA-N
MW449.98 g/mol
LogP5.71
Rot. Bonds9

About 1-(4-chloro-2-methoxyphenyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]cyclobutane-1-carboxamide

1-(4-chloro-2-methoxyphenyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 66868466) has the molecular formula C27H28ClNO3 and a molecular weight of 449.98 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]cyclobutane-1-carboxamide
PubChem CID66868466
Molecular FormulaC27H28ClNO3
Molecular Weight449.98 g/mol
Exact Mass449.18
IUPAC Name1-(4-chloro-2-methoxyphenyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCOc1cc(Cl)ccc1C1(C(=O)NCCc2ccc(OCc3ccccc3)cc2)CCC1
InChIInChI=1S/C27H28ClNO3/c1-31-25-18-22(28)10-13-24(25)27(15-5-16-27)26(30)29-17-14-20-8-11-23(12-9-20)32-19-21-6-3-2-4-7-21/h2-4,6-13,18H,5,14-17,19H2,1H3,(H,29,30)
InChIKeyQCRXRUKNCYBHHE-UHFFFAOYSA-N
XLogP5.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.98
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
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CID 51130985
N-[2-(4-methoxyphenyl)ethyl]-1-phenylcyclopentane-1-carboxamide
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4-(aminomethyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]oxane-4-carboxamide
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N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 32621862
1-(2,4-dichlorophenyl)-N-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 110437487
4-chloro-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 60517936
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 4783296
4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide
CID 119735749
1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 110438432
N-[3-(dimethylamino)propyl]-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110438073

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]cyclobutane-1-carboxamide (CID 66868466) is 1-(4-chloro-2-methoxyphenyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]cyclobutane-1-carboxamide is COc1cc(Cl)ccc1C1(C(=O)NCCc2ccc(OCc3ccccc3)cc2)CCC1.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is QCRXRUKNCYBHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClNO3/c1-31-25-18-22(28)10-13-24(25)27(15-5-16-27)26(30)29-17-14-20-8-11-23(12-9-20)32-19-21-6-3-2-4-7-21/h2-4,6-13,18H,5,14-17,19H2,1H3,(H,29,30).
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]cyclobutane-1-carboxamide?
1-(4-chloro-2-methoxyphenyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 449.98 g/mol, XLogP of 5.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 66868466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).