1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea

C23H19N3O3 — CID 56990515

IUPAC1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea
SMILESC[C@@H](NC(=O)Nc1ccc2cccc([N+](=O)[O-])c2c1)c1cccc2ccccc12
InChIInChI=1S/C23H19N3O3/c1-15(19-10-4-7-16-6-2-3-9-20(16)19)24-23(27)25-18-13-12-17-8-5-11-22(26(28)29)21(17)14-18/h2-15H,1H3,(H2,24,25,27)/t15-/m1/s1
InChIKeyCFEGGKKKVFXJQQ-OAHLLOKOSA-N
MW385.42 g/mol
LogP5.78
Rot. Bonds4

About 1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea

1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea (PubChem CID 56990515) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea.

Molecular Properties

Compound Name1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea
PubChem CID56990515
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea
SMILESC[C@@H](NC(=O)Nc1ccc2cccc([N+](=O)[O-])c2c1)c1cccc2ccccc12
InChIInChI=1S/C23H19N3O3/c1-15(19-10-4-7-16-6-2-3-9-20(16)19)24-23(27)25-18-13-12-17-8-5-11-22(26(28)29)21(17)14-18/h2-15H,1H3,(H2,24,25,27)/t15-/m1/s1
InChIKeyCFEGGKKKVFXJQQ-OAHLLOKOSA-N
XLogP5.78
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(8-nitronaphthalen-2-yl)acetamide
CID 615480
1-[(1R)-1-naphthalen-1-ylethyl]-3-(7-nitro-9,10-dihydrophenanthren-2-yl)urea
CID 70395287
1-[4-[[4-(hydroxymethyl)phenyl]methylsulfonyl]phenyl]-3-(1-naphthalen-1-ylethyl)urea
CID 130447405
1-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 99807610
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 55398862
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 87044684
N-(5-nitronaphthalen-2-yl)acetamide
CID 825939
2-[[(1S)-1-naphthalen-1-ylethyl]amino]-N-(4-nitrophenyl)acetamide
CID 9397574
1-[4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfonyl)phenyl]-3-(1-naphthalen-1-ylethyl)urea
CID 130447567
N-(1-naphthalen-1-ylethyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 24636355
[2-[[(1R)-1-naphthalen-1-ylethyl]amino]-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887800

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea?
The IUPAC name of 1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea (CID 56990515) is 1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea.
What is the SMILES notation for 1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea?
The canonical SMILES for 1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea is C[C@@H](NC(=O)Nc1ccc2cccc([N+](=O)[O-])c2c1)c1cccc2ccccc12.
What is the InChIKey of 1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea?
The InChIKey is CFEGGKKKVFXJQQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-15(19-10-4-7-16-6-2-3-9-20(16)19)24-23(27)25-18-13-12-17-8-5-11-22(26(28)29)21(17)14-18/h2-15H,1H3,(H2,24,25,27)/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea?
1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea has a molecular weight of 385.42 g/mol, XLogP of 5.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea is sourced from PubChem (CID 56990515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).