[3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea

C18H22N4O4 — CID 167987690

IUPAC[3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea
SMILESCC(C)C(NC(N)=O)C(=O)NNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C18H22N4O4/c1-11(2)16(20-18(19)25)17(24)22-21-15(23)10-26-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,16H,10H2,1-2H3,(H,21,23)(H,22,24)(H3,19,20,25)
InChIKeyBSCOHKKRWGOATG-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.06
Rot. Bonds6

About [3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea

[3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea (PubChem CID 167987690) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is [3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea.

Molecular Properties

Compound Name[3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea
PubChem CID167987690
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name[3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea
SMILESCC(C)C(NC(N)=O)C(=O)NNC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C18H22N4O4/c1-11(2)16(20-18(19)25)17(24)22-21-15(23)10-26-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,16H,10H2,1-2H3,(H,21,23)(H,22,24)(H3,19,20,25)
InChIKeyBSCOHKKRWGOATG-UHFFFAOYSA-N
XLogP1.06
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-[2-[2-(4-fluorophenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 9379100
[1-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]urea
CID 4801112
N-[(2R)-3-methylbutan-2-yl]-2-naphthalen-2-yloxyacetamide
CID 26218455
(2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8757594
(2S)-2-(4-fluorophenoxy)-N'-(2-naphthalen-2-yloxyacetyl)propanehydrazide
CID 9368212
2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
CID 4637022
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548
[1-[2-[2-(3-bromophenoxy)acetyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 4019762
2-[(2-naphthalen-2-yloxyacetyl)amino]-N-propan-2-ylacetamide
CID 17479065
2-(carbamoylamino)-3-methyl-N-(1-naphthalen-2-ylethyl)butanamide
CID 78776331
2-naphthalen-2-yloxy-N-pentan-3-ylacetamide
CID 24951700

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea?
The IUPAC name of [3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea (CID 167987690) is [3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea.
What is the SMILES notation for [3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea?
The canonical SMILES for [3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea is CC(C)C(NC(N)=O)C(=O)NNC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of [3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea?
The InChIKey is BSCOHKKRWGOATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-11(2)16(20-18(19)25)17(24)22-21-15(23)10-26-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,16H,10H2,1-2H3,(H,21,23)(H,22,24)(H3,19,20,25).
What are the key properties of [3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea?
[3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea has a molecular weight of 358.40 g/mol, XLogP of 1.06, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-1-oxobutan-2-yl]urea is sourced from PubChem (CID 167987690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).