N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide

C14H19NO3 — CID 109416121

IUPACN-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide
SMILESCC(C)(O)COc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C14H19NO3/c1-14(2,17)9-18-12-5-3-4-11(8-12)15-13(16)10-6-7-10/h3-5,8,10,17H,6-7,9H2,1-2H3,(H,15,16)
InChIKeySQFMXAMHRYLPNX-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.18
Rot. Bonds5

About N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide

N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide (PubChem CID 109416121) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide
PubChem CID109416121
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide
SMILESCC(C)(O)COc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C14H19NO3/c1-14(2,17)9-18-12-5-3-4-11(8-12)15-13(16)10-6-7-10/h3-5,8,10,17H,6-7,9H2,1-2H3,(H,15,16)
InChIKeySQFMXAMHRYLPNX-UHFFFAOYSA-N
XLogP2.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249671
N-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]cyclopropanecarboxamide
CID 112830319
N-[3-(2-aminoethoxy)phenyl]cyclooctanecarboxamide
CID 65019096
3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55879231
4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60849251
4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672572
N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 95567750
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
N-[3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]cyclopropanecarboxamide
CID 86997534
N-[3-[2-[(4-tert-butylphenyl)methyl-methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46481265

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide (CID 109416121) is N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide is CC(C)(O)COc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide?
The InChIKey is SQFMXAMHRYLPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(2,17)9-18-12-5-3-4-11(8-12)15-13(16)10-6-7-10/h3-5,8,10,17H,6-7,9H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide?
N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 109416121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).