2-(1-cyanocyclopropyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide

C18H17N3O2 — CID 167898478

IUPAC2-(1-cyanocyclopropyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
SMILESN#CC1(CC(=O)NCC(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C18H17N3O2/c19-12-18(8-9-18)10-16(22)20-11-17(23)21-15-7-3-5-13-4-1-2-6-14(13)15/h1-7H,8-11H2,(H,20,22)(H,21,23)
InChIKeyDEINMFCEHFYRFI-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.59
Rot. Bonds5

About 2-(1-cyanocyclopropyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide

2-(1-cyanocyclopropyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide (PubChem CID 167898478) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(1-cyanocyclopropyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-cyanocyclopropyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
PubChem CID167898478
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name2-(1-cyanocyclopropyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
SMILESN#CC1(CC(=O)NCC(=O)Nc2cccc3ccccc23)CC1
InChIInChI=1S/C18H17N3O2/c19-12-18(8-9-18)10-16(22)20-11-17(23)21-15-7-3-5-13-4-1-2-6-14(13)15/h1-7H,8-11H2,(H,20,22)(H,21,23)
InChIKeyDEINMFCEHFYRFI-UHFFFAOYSA-N
XLogP2.59
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 60593466
N-[2-(naphthalen-1-ylamino)-2-oxoethyl]-2-phenylacetamide
CID 24637856
2-(cyclopropylmethylamino)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 119767799
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-chloro-2-fluoro-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide
CID 167890403
2-anilino-N-naphthalen-1-ylacetamide
CID 767556
4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride
CID 120630106
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide;hydrochloride
CID 119767800
ethyl 2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]acetate
CID 129012663
4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
CID 120591295
2-[2-(hydroxymethyl)anilino]-N-naphthalen-1-ylacetamide
CID 176907917

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyanocyclopropyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-cyanocyclopropyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide (CID 167898478) is 2-(1-cyanocyclopropyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-cyanocyclopropyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-cyanocyclopropyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide is N#CC1(CC(=O)NCC(=O)Nc2cccc3ccccc23)CC1.
What is the InChIKey of 2-(1-cyanocyclopropyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide?
The InChIKey is DEINMFCEHFYRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c19-12-18(8-9-18)10-16(22)20-11-17(23)21-15-7-3-5-13-4-1-2-6-14(13)15/h1-7H,8-11H2,(H,20,22)(H,21,23).
What are the key properties of 2-(1-cyanocyclopropyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide?
2-(1-cyanocyclopropyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide has a molecular weight of 307.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyanocyclopropyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 167898478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).