N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide

C17H25NO3 — CID 111662697

IUPACN-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide
SMILESCC(C)COCC(O)CNC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-13(2)11-21-12-15(19)10-18-16(20)17(8-9-17)14-6-4-3-5-7-14/h3-7,13,15,19H,8-12H2,1-2H3,(H,18,20)
InChIKeyDFVKCTFTLAAMKJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.87
Rot. Bonds8

About N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide

N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 111662697) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID111662697
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide
SMILESCC(C)COCC(O)CNC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-13(2)11-21-12-15(19)10-18-16(20)17(8-9-17)14-6-4-3-5-7-14/h3-7,13,15,19H,8-12H2,1-2H3,(H,18,20)
InChIKeyDFVKCTFTLAAMKJ-UHFFFAOYSA-N
XLogP1.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-N-[2-hydroxy-3-(2-methylpropoxy)propyl]cyclobutane-1-carboxamide
CID 111791814
N-(3-hydroxy-2-methylpropyl)-1-phenylcyclopropane-1-carboxamide
CID 65036967
N-[(2R)-2-(ethylamino)propyl]-1-phenylcyclopropane-1-carboxamide
CID 120651845
N-(3-hydroxy-4-methoxybutyl)-1-phenylcyclopropane-1-carboxamide
CID 103876902
N-(4-chloro-2-methylbutyl)-1-phenylcyclopropane-1-carboxamide
CID 113273675
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 96530875
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 111662870
N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide
CID 50941599
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-phenylcyclopropane-1-carboxamide
CID 111565737
1-cyano-N-[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]cyclopentane-1-carboxamide
CID 97228397
N-(1-hydroxy-4-methylpentan-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 61246338

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide (CID 111662697) is N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide is CC(C)COCC(O)CNC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is DFVKCTFTLAAMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(2)11-21-12-15(19)10-18-16(20)17(8-9-17)14-6-4-3-5-7-14/h3-7,13,15,19H,8-12H2,1-2H3,(H,18,20).
What are the key properties of N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide?
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(2-methylpropoxy)propyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 111662697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).