N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide

C13H17NO2 — CID 43508348

IUPACN-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC(O)c1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C13H17NO2/c1-8-7-12(8)13(16)14-11-5-3-10(4-6-11)9(2)15/h3-6,8-9,12,15H,7H2,1-2H3,(H,14,16)
InChIKeyMPWNIQXPOYAHQR-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.33
Rot. Bonds3

About N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide

N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 43508348) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID43508348
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC(O)c1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C13H17NO2/c1-8-7-12(8)13(16)14-11-5-3-10(4-6-11)9(2)15/h3-6,8-9,12,15H,7H2,1-2H3,(H,14,16)
InChIKeyMPWNIQXPOYAHQR-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 16794453
N-[4-(1-hydroxyethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79759025
2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide
CID 43507733
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide
CID 106910392
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995
N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114299958
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
1-N-(4-chlorophenyl)-2-N-(4-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142356
3,4-dimethyl-6-[(4-propan-2-ylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 3561187
N-[4-(2-chloroethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114299297
1-(2,4-dimethylcyclohexyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 63999209

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide (CID 43508348) is N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide is CC(O)c1ccc(NC(=O)C2CC2C)cc1.
What is the InChIKey of N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is MPWNIQXPOYAHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-8-7-12(8)13(16)14-11-5-3-10(4-6-11)9(2)15/h3-6,8-9,12,15H,7H2,1-2H3,(H,14,16).
What are the key properties of N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide?
N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 219.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 43508348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).