5-butylnonan-5-yl N-anilinocarbamate

C20H34N2O2 — CID 102032688

IUPAC5-butylnonan-5-yl N-anilinocarbamate
SMILESCCCCC(CCCC)(CCCC)OC(=O)NNc1ccccc1
InChIInChI=1S/C20H34N2O2/c1-4-7-15-20(16-8-5-2,17-9-6-3)24-19(23)22-21-18-13-11-10-12-14-18/h10-14,21H,4-9,15-17H2,1-3H3,(H,22,23)
InChIKeyWFDLCUDPVOOALL-UHFFFAOYSA-N
MW334.50 g/mol
LogP6.05
Rot. Bonds12

About 5-butylnonan-5-yl N-anilinocarbamate

5-butylnonan-5-yl N-anilinocarbamate (PubChem CID 102032688) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is 5-butylnonan-5-yl N-anilinocarbamate.

Molecular Properties

Compound Name5-butylnonan-5-yl N-anilinocarbamate
PubChem CID102032688
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name5-butylnonan-5-yl N-anilinocarbamate
SMILESCCCCC(CCCC)(CCCC)OC(=O)NNc1ccccc1
InChIInChI=1S/C20H34N2O2/c1-4-7-15-20(16-8-5-2,17-9-6-3)24-19(23)22-21-18-13-11-10-12-14-18/h10-14,21H,4-9,15-17H2,1-3H3,(H,22,23)
InChIKeyWFDLCUDPVOOALL-UHFFFAOYSA-N
XLogP6.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl N-anilinocarbamate
CID 57279128
2-(5-butylhexadecan-5-yloxycarbonyl)benzoic acid
CID 54297089
bis(5-butyldecan-5-yl) benzene-1,2-dicarboxylate
CID 70543205
6-anilino-6-propan-2-yldecan-5-one
CID 175363491
ethyl N-(anilinocarbamoyl)carbamate
CID 11020506
2-(9-hexyloctadecan-9-yloxycarbonyl)benzoic acid
CID 141231360
2-[4-oxo-4-(2-phenylhydrazinyl)butan-2-yl]hexanoic acid
CID 3152084
2-butyl-2-ethyl-N,N'-diphenylpropanediamide
CID 170847638
5-butylnonan-5-yl methyl carbonate
CID 141441033
1-anilino-3-ethylurea
CID 67472651
2-amino-2-methyl-N-phenylhexanamide
CID 170712188
1-N',3-N'-diphenylpropanedihydrazide
CID 12863716

Frequently Asked Questions

What is the IUPAC name of 5-butylnonan-5-yl N-anilinocarbamate?
The IUPAC name of 5-butylnonan-5-yl N-anilinocarbamate (CID 102032688) is 5-butylnonan-5-yl N-anilinocarbamate.
What is the SMILES notation for 5-butylnonan-5-yl N-anilinocarbamate?
The canonical SMILES for 5-butylnonan-5-yl N-anilinocarbamate is CCCCC(CCCC)(CCCC)OC(=O)NNc1ccccc1.
What is the InChIKey of 5-butylnonan-5-yl N-anilinocarbamate?
The InChIKey is WFDLCUDPVOOALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-4-7-15-20(16-8-5-2,17-9-6-3)24-19(23)22-21-18-13-11-10-12-14-18/h10-14,21H,4-9,15-17H2,1-3H3,(H,22,23).
What are the key properties of 5-butylnonan-5-yl N-anilinocarbamate?
5-butylnonan-5-yl N-anilinocarbamate has a molecular weight of 334.50 g/mol, XLogP of 6.05, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylnonan-5-yl N-anilinocarbamate is sourced from PubChem (CID 102032688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).