1-cyclohexyl-3-[(3,5-dimethoxybenzoyl)amino]urea

C16H23N3O4 — CID 978034

IUPAC1-cyclohexyl-3-[(3,5-dimethoxybenzoyl)amino]urea
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)NC2CCCCC2)c1
InChIInChI=1S/C16H23N3O4/c1-22-13-8-11(9-14(10-13)23-2)15(20)18-19-16(21)17-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,18,20)(H2,17,19,21)
InChIKeyLNXRJRDODKFXDL-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.98
Rot. Bonds4

About 1-cyclohexyl-3-[(3,5-dimethoxybenzoyl)amino]urea

1-cyclohexyl-3-[(3,5-dimethoxybenzoyl)amino]urea (PubChem CID 978034) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(3,5-dimethoxybenzoyl)amino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(3,5-dimethoxybenzoyl)amino]urea
PubChem CID978034
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name1-cyclohexyl-3-[(3,5-dimethoxybenzoyl)amino]urea
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)NC2CCCCC2)c1
InChIInChI=1S/C16H23N3O4/c1-22-13-8-11(9-14(10-13)23-2)15(20)18-19-16(21)17-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,18,20)(H2,17,19,21)
InChIKeyLNXRJRDODKFXDL-UHFFFAOYSA-N
XLogP1.98
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dimethoxybenzohydrazide
CID 352312
N-(1-benzylpiperidin-4-yl)-3,5-dimethoxybenzamide
CID 14514271
3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2915995
2-(3-butoxybenzoyl)-N-cyclohexylhydrazinecarbothioamide
CID 2205108
3,5-dimethoxy-N'-(3-phenylpropanoyl)benzohydrazide
CID 846324
N-(diphenylmethyl)-3,5-dimethoxybenzamide
CID 873122
N-cyclopropyl-2-(3,5-dimethoxybenzoyl)hydrazinecarbothioamide
CID 972296
4-bromo-N-[3-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4789098
N'-(cyclopentanecarbonyl)-3,5-dimethoxybenzohydrazide
CID 5134175
3-Methoxybenzoic acid 2-[(cyclohexylamino)thioxomethyl]hydrazide
CID 674392
N,N'-hexane-1,6-diylbis(3,5-dimethoxybenzamide)
CID 5083548
N-{2-[(3,5-dimethoxybenzoyl)amino]-1-methylethyl}-3,5-dimethoxybenzamide
CID 4186597

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(3,5-dimethoxybenzoyl)amino]urea?
The IUPAC name of 1-cyclohexyl-3-[(3,5-dimethoxybenzoyl)amino]urea (CID 978034) is 1-cyclohexyl-3-[(3,5-dimethoxybenzoyl)amino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(3,5-dimethoxybenzoyl)amino]urea?
The canonical SMILES for 1-cyclohexyl-3-[(3,5-dimethoxybenzoyl)amino]urea is COc1cc(OC)cc(C(=O)NNC(=O)NC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-[(3,5-dimethoxybenzoyl)amino]urea?
The InChIKey is LNXRJRDODKFXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-22-13-8-11(9-14(10-13)23-2)15(20)18-19-16(21)17-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,18,20)(H2,17,19,21).
What are the key properties of 1-cyclohexyl-3-[(3,5-dimethoxybenzoyl)amino]urea?
1-cyclohexyl-3-[(3,5-dimethoxybenzoyl)amino]urea has a molecular weight of 321.38 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(3,5-dimethoxybenzoyl)amino]urea is sourced from PubChem (CID 978034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).