N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide

C16H16N2O — CID 62090634

IUPACN-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide
SMILESCC(CC#N)NC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C16H16N2O/c1-12(8-9-17)18-16(19)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,12H,8,11H2,1H3,(H,18,19)
InChIKeyXNKVZKOPEMMUMC-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.80
Rot. Bonds4

About N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide

N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide (PubChem CID 62090634) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide
PubChem CID62090634
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC NameN-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide
SMILESCC(CC#N)NC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C16H16N2O/c1-12(8-9-17)18-16(19)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,12H,8,11H2,1H3,(H,18,19)
InChIKeyXNKVZKOPEMMUMC-UHFFFAOYSA-N
XLogP2.80
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanopropan-2-yl)-2-phenylacetamide
CID 55211217
2-(4-chlorophenyl)-N-(1-cyanopropan-2-yl)acetamide
CID 55209733
N-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide
CID 114305681
N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide
CID 114389774
N-(1-cyanopropan-2-yl)-3-phenylpropanamide
CID 62089584
N-(1-cyanopropan-2-yl)-2-phenylsulfanylacetamide
CID 78991804
4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
CID 18070230
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079
N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide
CID 94817990
2-[(2-naphthalen-2-ylacetyl)amino]propanediamide
CID 134011808
3-(naphthalen-2-ylmethylamino)pentanenitrile
CID 55101550
N-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide
CID 103528710

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide (CID 62090634) is N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide is CC(CC#N)NC(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide?
The InChIKey is XNKVZKOPEMMUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12(8-9-17)18-16(19)11-13-6-7-14-4-2-3-5-15(14)10-13/h2-7,10,12H,8,11H2,1H3,(H,18,19).
What are the key properties of N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide?
N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide has a molecular weight of 252.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 62090634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).