1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide

C15H18N2O3 — CID 111434813

IUPAC1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)C2(C#N)CCC2)c1
InChIInChI=1S/C15H18N2O3/c1-20-12-5-2-4-11(8-12)13(18)9-17-14(19)15(10-16)6-3-7-15/h2,4-5,8,13,18H,3,6-7,9H2,1H3,(H,17,19)
InChIKeyDLNZNVMQRUHBCQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.54
Rot. Bonds5

About 1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide

1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide (PubChem CID 111434813) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
PubChem CID111434813
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
SMILESCOc1cccc(C(O)CNC(=O)C2(C#N)CCC2)c1
InChIInChI=1S/C15H18N2O3/c1-20-12-5-2-4-11(8-12)13(18)9-17-14(19)15(10-16)6-3-7-15/h2,4-5,8,13,18H,3,6-7,9H2,1H3,(H,17,19)
InChIKeyDLNZNVMQRUHBCQ-UHFFFAOYSA-N
XLogP1.54
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 119765478
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 119765490
1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 47117713
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81134737
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol
CID 81133448
1-amino-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119792524
2-(azepan-1-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 111477458
4-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 111696533

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide (CID 111434813) is 1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide is COc1cccc(C(O)CNC(=O)C2(C#N)CCC2)c1.
What is the InChIKey of 1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is DLNZNVMQRUHBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-20-12-5-2-4-11(8-12)13(18)9-17-14(19)15(10-16)6-3-7-15/h2,4-5,8,13,18H,3,6-7,9H2,1H3,(H,17,19).
What are the key properties of 1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide?
1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 111434813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).