N-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide

C15H20N2O2 — CID 82834678

IUPACN-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NCC2CCCO2)c1)C1CC1
InChIInChI=1S/C15H20N2O2/c18-15(11-6-7-11)17-13-4-1-3-12(9-13)16-10-14-5-2-8-19-14/h1,3-4,9,11,14,16H,2,5-8,10H2,(H,17,18)
InChIKeyOBAZFBHSFZIGSE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.63
Rot. Bonds5

About N-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide

N-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide (PubChem CID 82834678) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide
PubChem CID82834678
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NCC2CCCO2)c1)C1CC1
InChIInChI=1S/C15H20N2O2/c18-15(11-6-7-11)17-13-4-1-3-12(9-13)16-10-14-5-2-8-19-14/h1,3-4,9,11,14,16H,2,5-8,10H2,(H,17,18)
InChIKeyOBAZFBHSFZIGSE-UHFFFAOYSA-N
XLogP2.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 17202280
methyl N-[3-(oxolan-2-ylmethylamino)phenyl]carbamate
CID 82835955
(2R)-N-[3-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide
CID 38324677
N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide
CID 46410900
3-bromo-N-(oxolan-2-ylmethyl)aniline
CID 43179930
4-N-(4-fluorophenyl)-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146968
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
4-(oxolan-2-ylmethylamino)benzamide
CID 43179718
1-(cyclopropanecarbonyl)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]piperidine-4-carboxamide
CID 38474824
N-[3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112857317
1-N-(3-methylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133527
3-methyl-N-(oxan-2-ylmethyl)aniline
CID 43403452

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide (CID 82834678) is N-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(NCC2CCCO2)c1)C1CC1.
What is the InChIKey of N-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is OBAZFBHSFZIGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(11-6-7-11)17-13-4-1-3-12(9-13)16-10-14-5-2-8-19-14/h1,3-4,9,11,14,16H,2,5-8,10H2,(H,17,18).
What are the key properties of N-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide?
N-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 82834678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).