1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea

C26H26N4O2 — CID 4067846

IUPAC1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C26H26N4O2/c1-2-30(26(32)29-24-16-8-12-20-10-4-6-14-22(20)24)18-17-27-25(31)28-23-15-7-11-19-9-3-5-13-21(19)23/h3-16H,2,17-18H2,1H3,(H,29,32)(H2,27,28,31)
InChIKeyBFEBTPXEHKHEIP-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.67
Rot. Bonds6

About 1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea

1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea (PubChem CID 4067846) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea
PubChem CID4067846
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea
SMILESCCN(CCNC(=O)Nc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C26H26N4O2/c1-2-30(26(32)29-24-16-8-12-20-10-4-6-14-22(20)24)18-17-27-25(31)28-23-15-7-11-19-9-3-5-13-21(19)23/h3-16H,2,17-18H2,1H3,(H,29,32)(H2,27,28,31)
InChIKeyBFEBTPXEHKHEIP-UHFFFAOYSA-N
XLogP5.67
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-1-[2-(diethylamino)ethyl]-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea
CID 68920063
1-naphthalen-1-yl-3-(3-oxobutyl)urea
CID 108895153
1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
CID 134126097
1-ethyl-1-(2-hydroxy-2-methylpropyl)-3-naphthalen-1-ylurea
CID 79378172
1-(2-methoxyethyl)-3-naphthalen-1-yl-1-propylurea
CID 3823639
N-[2-(diethylamino)ethyl]-N'-naphthalen-1-yloxamide
CID 108522195
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
1,1-bis(2-methylpropyl)-3-naphthalen-1-ylurea
CID 19835720
3-ethyl-1-methyl-1-(naphthalen-1-ylcarbamoylamino)urea
CID 75449952
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea?
The IUPAC name of 1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea (CID 4067846) is 1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea.
What is the SMILES notation for 1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea?
The canonical SMILES for 1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea is CCN(CCNC(=O)Nc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea?
The InChIKey is BFEBTPXEHKHEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-2-30(26(32)29-24-16-8-12-20-10-4-6-14-22(20)24)18-17-27-25(31)28-23-15-7-11-19-9-3-5-13-21(19)23/h3-16H,2,17-18H2,1H3,(H,29,32)(H2,27,28,31).
What are the key properties of 1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea?
1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea has a molecular weight of 426.52 g/mol, XLogP of 5.67, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-naphthalen-1-yl-1-[2-(naphthalen-1-ylcarbamoylamino)ethyl]urea is sourced from PubChem (CID 4067846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).