N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide

C16H21FN2O2 — CID 66265812

IUPACN-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H21FN2O2/c1-18-15-10-21-9-14(15)16(20)19(13-5-6-13)8-11-3-2-4-12(17)7-11/h2-4,7,13-15,18H,5-6,8-10H2,1H3
InChIKeyQPSVQUMHBDOLEU-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.55
Rot. Bonds5

About N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide

N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66265812) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
PubChem CID66265812
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC NameN-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N(Cc1cccc(F)c1)C1CC1
InChIInChI=1S/C16H21FN2O2/c1-18-15-10-21-9-14(15)16(20)19(13-5-6-13)8-11-3-2-4-12(17)7-11/h2-4,7,13-15,18H,5-6,8-10H2,1H3
InChIKeyQPSVQUMHBDOLEU-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66258659
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-oxobutanamide
CID 54876800
trans-(1S,2S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 97011420
N-[(3-methoxyphenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66265607
3-[cyclopropyl-[(3-fluorophenyl)methyl]amino]-3-oxopropanoic acid
CID 55049064
N-[(2,4-difluorophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266798
N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119284923
N-(3-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267926
4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 60939318
N-cyclopropyl-N-(cyclopropylmethyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267056
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119715339
(2S,4S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621340

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide (CID 66265812) is N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide is CNC1COCC1C(=O)N(Cc1cccc(F)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is QPSVQUMHBDOLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-18-15-10-21-9-14(15)16(20)19(13-5-6-13)8-11-3-2-4-12(17)7-11/h2-4,7,13-15,18H,5-6,8-10H2,1H3.
What are the key properties of N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide?
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-fluorophenyl)methyl]-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66265812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).