(propan-2-ylideneamino) N-(2,6-diethylphenyl)carbamate

C14H20N2O2 — CID 4689437

IUPAC(propan-2-ylideneamino) N-(2,6-diethylphenyl)carbamate
SMILESCCc1cccc(CC)c1NC(=O)ON=C(C)C
InChIInChI=1S/C14H20N2O2/c1-5-11-8-7-9-12(6-2)13(11)15-14(17)18-16-10(3)4/h7-9H,5-6H2,1-4H3,(H,15,17)
InChIKeyPSDMANWOKDRKDF-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.76
Rot. Bonds4

About (propan-2-ylideneamino) N-(2,6-diethylphenyl)carbamate

(propan-2-ylideneamino) N-(2,6-diethylphenyl)carbamate (PubChem CID 4689437) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (propan-2-ylideneamino) N-(2,6-diethylphenyl)carbamate.

Molecular Properties

Compound Name(propan-2-ylideneamino) N-(2,6-diethylphenyl)carbamate
PubChem CID4689437
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(propan-2-ylideneamino) N-(2,6-diethylphenyl)carbamate
SMILESCCc1cccc(CC)c1NC(=O)ON=C(C)C
InChIInChI=1S/C14H20N2O2/c1-5-11-8-7-9-12(6-2)13(11)15-14(17)18-16-10(3)4/h7-9H,5-6H2,1-4H3,(H,15,17)
InChIKeyPSDMANWOKDRKDF-UHFFFAOYSA-N
XLogP3.76
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

butyl N-(2,6-diethylphenyl)carbamate
CID 19174090
2,2,2-trifluoroethyl N-(2,6-diethylphenyl)carbamate
CID 39871495
N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318
3-amino-N-(2,6-diethylphenyl)-3-sulfanylidenepropanamide
CID 28942377
(4-butoxyphenyl) N-(2,6-diethylphenyl)carbamate
CID 3423287
N-(2,6-diethylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 827833
N-(2,6-diethylphenyl)-2-[(E)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 5410038
N-(2-chloro-6-ethylphenyl)acetamide
CID 130011952
1-amino-N-(2,6-diethylphenyl)cyclopropane-1-carboxamide
CID 65463970
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 82182301
3-amino-N-(2,6-diethylphenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 76919712
tert-butyl N-(2-ethyl-6-fluorophenyl)carbamate
CID 153485690

Frequently Asked Questions

What is the IUPAC name of (propan-2-ylideneamino) N-(2,6-diethylphenyl)carbamate?
The IUPAC name of (propan-2-ylideneamino) N-(2,6-diethylphenyl)carbamate (CID 4689437) is (propan-2-ylideneamino) N-(2,6-diethylphenyl)carbamate.
What is the SMILES notation for (propan-2-ylideneamino) N-(2,6-diethylphenyl)carbamate?
The canonical SMILES for (propan-2-ylideneamino) N-(2,6-diethylphenyl)carbamate is CCc1cccc(CC)c1NC(=O)ON=C(C)C.
What is the InChIKey of (propan-2-ylideneamino) N-(2,6-diethylphenyl)carbamate?
The InChIKey is PSDMANWOKDRKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-11-8-7-9-12(6-2)13(11)15-14(17)18-16-10(3)4/h7-9H,5-6H2,1-4H3,(H,15,17).
What are the key properties of (propan-2-ylideneamino) N-(2,6-diethylphenyl)carbamate?
(propan-2-ylideneamino) N-(2,6-diethylphenyl)carbamate has a molecular weight of 248.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-ylideneamino) N-(2,6-diethylphenyl)carbamate is sourced from PubChem (CID 4689437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).