1-naphthalen-1-yl-3-(3-oxobutyl)urea

C15H16N2O2 — CID 108895153

IUPAC1-naphthalen-1-yl-3-(3-oxobutyl)urea
SMILESCC(=O)CCNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H16N2O2/c1-11(18)9-10-16-15(19)17-14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-10H2,1H3,(H2,16,17,19)
InChIKeyUCMAYRLDUQFVKK-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.94
Rot. Bonds4

About 1-naphthalen-1-yl-3-(3-oxobutyl)urea

1-naphthalen-1-yl-3-(3-oxobutyl)urea (PubChem CID 108895153) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-(3-oxobutyl)urea.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-(3-oxobutyl)urea
PubChem CID108895153
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-naphthalen-1-yl-3-(3-oxobutyl)urea
SMILESCC(=O)CCNC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H16N2O2/c1-11(18)9-10-16-15(19)17-14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-10H2,1H3,(H2,16,17,19)
InChIKeyUCMAYRLDUQFVKK-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-3-sulfanylidenepropyl)-3-naphthalen-1-ylurea
CID 62667648
1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664928
1-[2-[(R)-methylsulfinyl]ethyl]-3-naphthalen-1-ylurea
CID 51686352
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
CID 134126097
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-naphthalen-1-yl-3-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]urea
CID 4919473
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556
2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107835055
1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea
CID 4067846

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-(3-oxobutyl)urea?
The IUPAC name of 1-naphthalen-1-yl-3-(3-oxobutyl)urea (CID 108895153) is 1-naphthalen-1-yl-3-(3-oxobutyl)urea.
What is the SMILES notation for 1-naphthalen-1-yl-3-(3-oxobutyl)urea?
The canonical SMILES for 1-naphthalen-1-yl-3-(3-oxobutyl)urea is CC(=O)CCNC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-(3-oxobutyl)urea?
The InChIKey is UCMAYRLDUQFVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11(18)9-10-16-15(19)17-14-8-4-6-12-5-2-3-7-13(12)14/h2-8H,9-10H2,1H3,(H2,16,17,19).
What are the key properties of 1-naphthalen-1-yl-3-(3-oxobutyl)urea?
1-naphthalen-1-yl-3-(3-oxobutyl)urea has a molecular weight of 256.31 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-(3-oxobutyl)urea is sourced from PubChem (CID 108895153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).