N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide

C15H21NO3 — CID 103876902

IUPACN-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide
SMILESCOCC(O)CCNC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c1-19-11-13(17)7-10-16-14(18)15(8-9-15)12-5-3-2-4-6-12/h2-6,13,17H,7-11H2,1H3,(H,16,18)
InChIKeyNZRMAHIYBFXFEK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.23
Rot. Bonds7

About N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide

N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 103876902) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID103876902
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide
SMILESCOCC(O)CCNC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C15H21NO3/c1-19-11-13(17)7-10-16-14(18)15(8-9-15)12-5-3-2-4-6-12/h2-6,13,17H,7-11H2,1H3,(H,16,18)
InChIKeyNZRMAHIYBFXFEK-UHFFFAOYSA-N
XLogP1.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-4-methoxybutyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 103876725
N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide
CID 50941599
1-benzyl-3-(3-hydroxy-4-methoxybutyl)urea
CID 103875504
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide
CID 111662697
1-(3-hydroxy-4-methoxybutyl)-3-phenylurea
CID 103875503
N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947
N-(1-methoxypropan-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 134057156
N-[(3R)-3-hydroxy-3-phenylpropyl]-4-phenyloxane-4-carboxamide
CID 96568311
N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide
CID 114504381
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24666491
(E)-N-(3-hydroxy-4-methoxybutyl)-3-phenylprop-2-enamide
CID 113343565
(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)-3-phenylpropanamide
CID 106247480

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide (CID 103876902) is N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide is COCC(O)CCNC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is NZRMAHIYBFXFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-11-13(17)7-10-16-14(18)15(8-9-15)12-5-3-2-4-6-12/h2-6,13,17H,7-11H2,1H3,(H,16,18).
What are the key properties of N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide?
N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 103876902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).