3-ethyl-1-methyl-1-(naphthalen-1-ylcarbamoylamino)urea

C15H18N4O2 — CID 75449952

IUPAC3-ethyl-1-methyl-1-(naphthalen-1-ylcarbamoylamino)urea
SMILESCCNC(=O)N(C)NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H18N4O2/c1-3-16-15(21)19(2)18-14(20)17-13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3H2,1-2H3,(H,16,21)(H2,17,18,20)
InChIKeyKOTRLMALFYEFEY-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.54
Rot. Bonds2

About 3-ethyl-1-methyl-1-(naphthalen-1-ylcarbamoylamino)urea

3-ethyl-1-methyl-1-(naphthalen-1-ylcarbamoylamino)urea (PubChem CID 75449952) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-(naphthalen-1-ylcarbamoylamino)urea.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-(naphthalen-1-ylcarbamoylamino)urea
PubChem CID75449952
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3-ethyl-1-methyl-1-(naphthalen-1-ylcarbamoylamino)urea
SMILESCCNC(=O)N(C)NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H18N4O2/c1-3-16-15(21)19(2)18-14(20)17-13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3H2,1-2H3,(H,16,21)(H2,17,18,20)
InChIKeyKOTRLMALFYEFEY-UHFFFAOYSA-N
XLogP2.54
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea
CID 4067846
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
CID 134126097
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
1-naphthalen-1-yl-3-[2-(propan-2-ylamino)ethyl]urea
CID 62664928
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556
1-[(2S)-butan-2-yl]-3-naphthalen-1-ylurea
CID 2241028
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-(diethylamino)-N-naphthalen-1-ylacetamide
CID 6421395

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-(naphthalen-1-ylcarbamoylamino)urea?
The IUPAC name of 3-ethyl-1-methyl-1-(naphthalen-1-ylcarbamoylamino)urea (CID 75449952) is 3-ethyl-1-methyl-1-(naphthalen-1-ylcarbamoylamino)urea.
What is the SMILES notation for 3-ethyl-1-methyl-1-(naphthalen-1-ylcarbamoylamino)urea?
The canonical SMILES for 3-ethyl-1-methyl-1-(naphthalen-1-ylcarbamoylamino)urea is CCNC(=O)N(C)NC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 3-ethyl-1-methyl-1-(naphthalen-1-ylcarbamoylamino)urea?
The InChIKey is KOTRLMALFYEFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-16-15(21)19(2)18-14(20)17-13-10-6-8-11-7-4-5-9-12(11)13/h4-10H,3H2,1-2H3,(H,16,21)(H2,17,18,20).
What are the key properties of 3-ethyl-1-methyl-1-(naphthalen-1-ylcarbamoylamino)urea?
3-ethyl-1-methyl-1-(naphthalen-1-ylcarbamoylamino)urea has a molecular weight of 286.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-(naphthalen-1-ylcarbamoylamino)urea is sourced from PubChem (CID 75449952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).