N-[2-[3-(cyclopropanecarbonyl)naphthalen-1-yl]ethyl]cyclopropanecarboxamide

C20H21NO2 — CID 19426776

IUPACN-[2-[3-(cyclopropanecarbonyl)naphthalen-1-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1cc(C(=O)C2CC2)cc2ccccc12)C1CC1
InChIInChI=1S/C20H21NO2/c22-19(13-5-6-13)17-11-15-3-1-2-4-18(15)16(12-17)9-10-21-20(23)14-7-8-14/h1-4,11-14H,5-10H2,(H,21,23)
InChIKeyOKXBCUZEVZSHBE-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.50
Rot. Bonds6

About N-[2-[3-(cyclopropanecarbonyl)naphthalen-1-yl]ethyl]cyclopropanecarboxamide

N-[2-[3-(cyclopropanecarbonyl)naphthalen-1-yl]ethyl]cyclopropanecarboxamide (PubChem CID 19426776) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[2-[3-(cyclopropanecarbonyl)naphthalen-1-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(cyclopropanecarbonyl)naphthalen-1-yl]ethyl]cyclopropanecarboxamide
PubChem CID19426776
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-[2-[3-(cyclopropanecarbonyl)naphthalen-1-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1cc(C(=O)C2CC2)cc2ccccc12)C1CC1
InChIInChI=1S/C20H21NO2/c22-19(13-5-6-13)17-11-15-3-1-2-4-18(15)16(12-17)9-10-21-20(23)14-7-8-14/h1-4,11-14H,5-10H2,(H,21,23)
InChIKeyOKXBCUZEVZSHBE-UHFFFAOYSA-N
XLogP3.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-naphthalen-1-ylethyl)cyclohexanecarboxamide
CID 19963481
4-hydroxy-N-[2-(2-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529250
1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea
CID 23360854
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[2-(2-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 110478158
3-amino-N-(2-naphthalen-1-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119722507
N-[2-(1-benzothiophen-3-yl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119296481
N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide
CID 87005605
N-(3-hydroxy-3-naphthalen-1-ylpropyl)cyclopropanecarboxamide
CID 71787907
N-[2-(1-benzofuran-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 115159596
N-(2-naphthalen-1-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119288851
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(cyclopropanecarbonyl)naphthalen-1-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[3-(cyclopropanecarbonyl)naphthalen-1-yl]ethyl]cyclopropanecarboxamide (CID 19426776) is N-[2-[3-(cyclopropanecarbonyl)naphthalen-1-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[3-(cyclopropanecarbonyl)naphthalen-1-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[3-(cyclopropanecarbonyl)naphthalen-1-yl]ethyl]cyclopropanecarboxamide is O=C(NCCc1cc(C(=O)C2CC2)cc2ccccc12)C1CC1.
What is the InChIKey of N-[2-[3-(cyclopropanecarbonyl)naphthalen-1-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is OKXBCUZEVZSHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c22-19(13-5-6-13)17-11-15-3-1-2-4-18(15)16(12-17)9-10-21-20(23)14-7-8-14/h1-4,11-14H,5-10H2,(H,21,23).
What are the key properties of N-[2-[3-(cyclopropanecarbonyl)naphthalen-1-yl]ethyl]cyclopropanecarboxamide?
N-[2-[3-(cyclopropanecarbonyl)naphthalen-1-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 307.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(cyclopropanecarbonyl)naphthalen-1-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 19426776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).