1-cyclohexyl-3-(2-naphthalen-2-yloxypropanoylamino)urea

C20H25N3O3 — CID 4940226

IUPAC1-cyclohexyl-3-(2-naphthalen-2-yloxypropanoylamino)urea
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)NC1CCCCC1
InChIInChI=1S/C20H25N3O3/c1-14(26-18-12-11-15-7-5-6-8-16(15)13-18)19(24)22-23-20(25)21-17-9-3-2-4-10-17/h5-8,11-14,17H,2-4,9-10H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyIKZMDUXXFRUOAZ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.27
Rot. Bonds4

About 1-cyclohexyl-3-(2-naphthalen-2-yloxypropanoylamino)urea

1-cyclohexyl-3-(2-naphthalen-2-yloxypropanoylamino)urea (PubChem CID 4940226) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-naphthalen-2-yloxypropanoylamino)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-naphthalen-2-yloxypropanoylamino)urea
PubChem CID4940226
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-cyclohexyl-3-(2-naphthalen-2-yloxypropanoylamino)urea
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)NC1CCCCC1
InChIInChI=1S/C20H25N3O3/c1-14(26-18-12-11-15-7-5-6-8-16(15)13-18)19(24)22-23-20(25)21-17-9-3-2-4-10-17/h5-8,11-14,17H,2-4,9-10H2,1H3,(H,22,24)(H2,21,23,25)
InChIKeyIKZMDUXXFRUOAZ-UHFFFAOYSA-N
XLogP3.27
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-cyclopropyl-2-naphthalen-2-yloxypropanamide
CID 42561249
(2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 40855971
N'-(2-naphthalen-2-yloxypropanoyl)cyclopropanecarbohydrazide
CID 4940181
1-[[(2S)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]-3-cyclohexylurea
CID 2206816
(2S)-N-cyclooctyl-2-naphthalen-2-yloxybutanamide
CID 92673860
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 40616563
(2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815645
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-2-yloxyacetate
CID 3667679
(2S)-N-cyclopentyl-2-(4-phenylphenoxy)propanamide
CID 7868566

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-naphthalen-2-yloxypropanoylamino)urea?
The IUPAC name of 1-cyclohexyl-3-(2-naphthalen-2-yloxypropanoylamino)urea (CID 4940226) is 1-cyclohexyl-3-(2-naphthalen-2-yloxypropanoylamino)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-naphthalen-2-yloxypropanoylamino)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-naphthalen-2-yloxypropanoylamino)urea is CC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-naphthalen-2-yloxypropanoylamino)urea?
The InChIKey is IKZMDUXXFRUOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(26-18-12-11-15-7-5-6-8-16(15)13-18)19(24)22-23-20(25)21-17-9-3-2-4-10-17/h5-8,11-14,17H,2-4,9-10H2,1H3,(H,22,24)(H2,21,23,25).
What are the key properties of 1-cyclohexyl-3-(2-naphthalen-2-yloxypropanoylamino)urea?
1-cyclohexyl-3-(2-naphthalen-2-yloxypropanoylamino)urea has a molecular weight of 355.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-naphthalen-2-yloxypropanoylamino)urea is sourced from PubChem (CID 4940226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).