1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide

C16H18N2O — CID 78994938

IUPAC1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NC2CCCc3ccccc32)CCC1
InChIInChI=1S/C16H18N2O/c17-11-16(9-4-10-16)15(19)18-14-8-3-6-12-5-1-2-7-13(12)14/h1-2,5,7,14H,3-4,6,8-10H2,(H,18,19)
InChIKeyZYCLZMYRZSNFEC-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.87
Rot. Bonds2

About 1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide

1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide (PubChem CID 78994938) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide
PubChem CID78994938
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NC2CCCc3ccccc32)CCC1
InChIInChI=1S/C16H18N2O/c17-11-16(9-4-10-16)15(19)18-14-8-3-6-12-5-1-2-7-13(12)14/h1-2,5,7,14H,3-4,6,8-10H2,(H,18,19)
InChIKeyZYCLZMYRZSNFEC-UHFFFAOYSA-N
XLogP2.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
CID 95626540
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
1-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81155808
3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)oxetane-3-carboxamide
CID 146022448
1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 115617814
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
4-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 119674476
2-(1-hydroxycyclopentyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111430151
1-acetyl-4-phenyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 39897380
2-(4-cyanoanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 25467388
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 111503818
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide
CID 78995107

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide (CID 78994938) is 1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide is N#CC1(C(=O)NC2CCCc3ccccc32)CCC1.
What is the InChIKey of 1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide?
The InChIKey is ZYCLZMYRZSNFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-11-16(9-4-10-16)15(19)18-14-8-3-6-12-5-1-2-7-13(12)14/h1-2,5,7,14H,3-4,6,8-10H2,(H,18,19).
What are the key properties of 1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide?
1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 78994938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).