N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide

C15H19NO2 — CID 42940584

IUPACN-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)C1CCCO1
InChIInChI=1S/C15H19NO2/c17-14(13-7-4-10-18-13)16-11-15(8-9-15)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,17)
InChIKeyFGMRKVWUPHMIKE-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.01
Rot. Bonds4

About N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide

N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide (PubChem CID 42940584) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide
PubChem CID42940584
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)C1CCCO1
InChIInChI=1S/C15H19NO2/c17-14(13-7-4-10-18-13)16-11-15(8-9-15)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,17)
InChIKeyFGMRKVWUPHMIKE-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide
CID 113090708
N'-methyl-4-(oxolane-2-carbonyl)-N-[(1-phenylcyclopropyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111301756
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
(2S,5R)-5-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120785201
(3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide
CID 95272452
N-[(1-phenylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42938379
N-phenyloxolane-2-carboxamide
CID 3453643
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 99779324
1-[1-(oxolan-2-yl)ethyl]-3-[(1-phenylcyclobutyl)methyl]urea
CID 134006680
1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 104855915
4-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 55492878

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide (CID 42940584) is N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide is O=C(NCC1(c2ccccc2)CC1)C1CCCO1.
What is the InChIKey of N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide?
The InChIKey is FGMRKVWUPHMIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14(13-7-4-10-18-13)16-11-15(8-9-15)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,16,17).
What are the key properties of N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide?
N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide has a molecular weight of 245.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 42940584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).