trans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide

C21H25NO2 — CID 124744499

IUPACtrans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12
InChIInChI=1S/C21H25NO2/c1-2-22(13-15-10-11-24-14-15)21(23)20-12-19(20)18-9-5-7-16-6-3-4-8-17(16)18/h3-9,15,19-20H,2,10-14H2,1H3/t15-,19-,20+/m0/s1
InChIKeyZZAUZUMEHNMNJA-RYGJVYDSSA-N
MW323.44 g/mol
LogP3.83
Rot. Bonds5

About trans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide

trans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 124744499) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is trans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
PubChem CID124744499
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Nametrans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12
InChIInChI=1S/C21H25NO2/c1-2-22(13-15-10-11-24-14-15)21(23)20-12-19(20)18-9-5-7-16-6-3-4-8-17(16)18/h3-9,15,19-20H,2,10-14H2,1H3/t15-,19-,20+/m0/s1
InChIKeyZZAUZUMEHNMNJA-RYGJVYDSSA-N
XLogP3.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-ethyl-2-naphthalen-1-yl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 71878161
1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94139207
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 95247590
2-amino-N-ethyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 114995328
6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 60950820
N-ethyl-N-(oxolan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901310
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
N-ethyl-N-(oxolan-3-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 60952807
N-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027
N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]naphthalene-1-sulfonamide
CID 95974974
N-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide
CID 51082580
2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
CID 119348048

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide (CID 124744499) is trans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide is CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1C[C@H]1c1cccc2ccccc12.
What is the InChIKey of trans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is ZZAUZUMEHNMNJA-RYGJVYDSSA-N. The full InChI is InChI=1S/C21H25NO2/c1-2-22(13-15-10-11-24-14-15)21(23)20-12-19(20)18-9-5-7-16-6-3-4-8-17(16)18/h3-9,15,19-20H,2,10-14H2,1H3/t15-,19-,20+/m0/s1.
What are the key properties of trans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 124744499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).