1-(2-cyanoethyl)-3-naphthalen-1-yl-1-phenylurea

C20H17N3O — CID 20787233

IUPAC1-(2-cyanoethyl)-3-naphthalen-1-yl-1-phenylurea
SMILESN#CCCN(C(=O)Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H17N3O/c21-14-7-15-23(17-10-2-1-3-11-17)20(24)22-19-13-6-9-16-8-4-5-12-18(16)19/h1-6,8-13H,7,15H2,(H,22,24)
InChIKeyQPWZZSUVSZZATK-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.79
Rot. Bonds4

About 1-(2-cyanoethyl)-3-naphthalen-1-yl-1-phenylurea

1-(2-cyanoethyl)-3-naphthalen-1-yl-1-phenylurea (PubChem CID 20787233) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-3-naphthalen-1-yl-1-phenylurea.

Molecular Properties

Compound Name1-(2-cyanoethyl)-3-naphthalen-1-yl-1-phenylurea
PubChem CID20787233
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name1-(2-cyanoethyl)-3-naphthalen-1-yl-1-phenylurea
SMILESN#CCCN(C(=O)Nc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C20H17N3O/c21-14-7-15-23(17-10-2-1-3-11-17)20(24)22-19-13-6-9-16-8-4-5-12-18(16)19/h1-6,8-13H,7,15H2,(H,22,24)
InChIKeyQPWZZSUVSZZATK-UHFFFAOYSA-N
XLogP4.79
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide
CID 43823022
4-[butyl(naphthalen-1-ylcarbamoyl)amino]benzoic acid
CID 20787975
N-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide
CID 60570475
(2R)-2-[[2-cyanoethyl(phenyl)carbamoyl]amino]propanoic acid
CID 54991352
2-[[2-cyanoethyl(phenyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61193258
3-[[2-cyanoethyl(phenyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109533
1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]-1-phenyl-3-[3-(trifluoromethyl)phenyl]urea
CID 42703609
N'-(2-cyanoethyl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-N'-phenylbutanediamide
CID 56505801
2-bromo-N-(2-cyanoethyl)-N-phenylpropanamide
CID 107902898
N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide
CID 107721972
N-(2-cyanoethyl)-N-phenyloctanamide
CID 43085178
N'-(2-cyanoethyl)-N-[[2-(methanesulfonamido)phenyl]methyl]-N'-phenylbutanediamide
CID 56506344

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-3-naphthalen-1-yl-1-phenylurea?
The IUPAC name of 1-(2-cyanoethyl)-3-naphthalen-1-yl-1-phenylurea (CID 20787233) is 1-(2-cyanoethyl)-3-naphthalen-1-yl-1-phenylurea.
What is the SMILES notation for 1-(2-cyanoethyl)-3-naphthalen-1-yl-1-phenylurea?
The canonical SMILES for 1-(2-cyanoethyl)-3-naphthalen-1-yl-1-phenylurea is N#CCCN(C(=O)Nc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 1-(2-cyanoethyl)-3-naphthalen-1-yl-1-phenylurea?
The InChIKey is QPWZZSUVSZZATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c21-14-7-15-23(17-10-2-1-3-11-17)20(24)22-19-13-6-9-16-8-4-5-12-18(16)19/h1-6,8-13H,7,15H2,(H,22,24).
What are the key properties of 1-(2-cyanoethyl)-3-naphthalen-1-yl-1-phenylurea?
1-(2-cyanoethyl)-3-naphthalen-1-yl-1-phenylurea has a molecular weight of 315.38 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoethyl)-3-naphthalen-1-yl-1-phenylurea is sourced from PubChem (CID 20787233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).