N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide

C15H20N2O2 — CID 43204093

IUPACN-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NCC2CCOC2)cc1)C1CC1
InChIInChI=1S/C15H20N2O2/c18-15(12-1-2-12)17-14-5-3-13(4-6-14)16-9-11-7-8-19-10-11/h3-6,11-12,16H,1-2,7-10H2,(H,17,18)
InChIKeyWRMCSZBXGGQVRV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.48
Rot. Bonds5

About N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide

N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide (PubChem CID 43204093) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide
PubChem CID43204093
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(NCC2CCOC2)cc1)C1CC1
InChIInChI=1S/C15H20N2O2/c18-15(12-1-2-12)17-14-5-3-13(4-6-14)16-9-11-7-8-19-10-11/h3-6,11-12,16H,1-2,7-10H2,(H,17,18)
InChIKeyWRMCSZBXGGQVRV-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62824000
N-cyclopropyl-4-(oxolan-3-ylmethylamino)benzamide
CID 43687551
4-(oxolan-3-ylmethylamino)-N-prop-2-enylbenzamide
CID 54865698
N-[4-[(4-aminocyclohexyl)methylamino]phenyl]cyclohexanecarboxamide
CID 59230846
N-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide
CID 43690243
N-(4-tert-butylphenyl)oxolane-3-carboxamide
CID 47443367
4-[(dimethylamino)methyl]-N-(oxolan-3-ylmethyl)aniline
CID 43747336
N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 51188941
2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63739848
N-(4-ethynylphenyl)oxolane-3-carboxamide
CID 165452095
N-cyclopropyl-4-(oxan-3-ylmethylamino)benzamide
CID 63737546

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide (CID 43204093) is N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(NCC2CCOC2)cc1)C1CC1.
What is the InChIKey of N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is WRMCSZBXGGQVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-15(12-1-2-12)17-14-5-3-13(4-6-14)16-9-11-7-8-19-10-11/h3-6,11-12,16H,1-2,7-10H2,(H,17,18).
What are the key properties of N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide?
N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 43204093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).