[(E)-2-methylpropylideneamino] N-(2-propan-2-ylphenyl)carbamate

C14H20N2O2 — CID 142438324

IUPAC[(E)-2-methylpropylideneamino] N-(2-propan-2-ylphenyl)carbamate
SMILESCC(C)/C=N/OC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C14H20N2O2/c1-10(2)9-15-18-14(17)16-13-8-6-5-7-12(13)11(3)4/h5-11H,1-4H3,(H,16,17)/b15-9+
InChIKeyQBQCSRAYUPVFOG-OQLLNIDSSA-N
MW248.33 g/mol
LogP4.00
Rot. Bonds4

About [(E)-2-methylpropylideneamino] N-(2-propan-2-ylphenyl)carbamate

[(E)-2-methylpropylideneamino] N-(2-propan-2-ylphenyl)carbamate (PubChem CID 142438324) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [(E)-2-methylpropylideneamino] N-(2-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Name[(E)-2-methylpropylideneamino] N-(2-propan-2-ylphenyl)carbamate
PubChem CID142438324
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[(E)-2-methylpropylideneamino] N-(2-propan-2-ylphenyl)carbamate
SMILESCC(C)/C=N/OC(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C14H20N2O2/c1-10(2)9-15-18-14(17)16-13-8-6-5-7-12(13)11(3)4/h5-11H,1-4H3,(H,16,17)/b15-9+
InChIKeyQBQCSRAYUPVFOG-OQLLNIDSSA-N
XLogP4.00
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 ≤ 54.00
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

2-methoxy-N-(2-propan-2-ylphenyl)propanamide
CID 86811936
N-(2-propan-2-ylphenyl)prop-2-enamide
CID 23202677
methyl (E)-4-oxo-4-(2-propan-2-ylanilino)but-2-enoate
CID 851932
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N-(2-propan-2-ylphenyl)benzamide
CID 723391
2-[(Z)-(2-fluorophenyl)methylideneamino]oxy-N-(2-propan-2-ylphenyl)acetamide
CID 7703285
methoxyethane;N-(2-propan-2-ylphenyl)acetamide
CID 161222349
2,3-dimethyl-4-oxo-4-(2-propan-2-ylanilino)butanoic acid
CID 103496084
2-methyl-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 86076819
[2-oxo-2-(2-propan-2-ylanilino)ethyl] N'-aminocarbamimidothioate
CID 77061136

Frequently Asked Questions

What is the IUPAC name of [(E)-2-methylpropylideneamino] N-(2-propan-2-ylphenyl)carbamate?
The IUPAC name of [(E)-2-methylpropylideneamino] N-(2-propan-2-ylphenyl)carbamate (CID 142438324) is [(E)-2-methylpropylideneamino] N-(2-propan-2-ylphenyl)carbamate.
What is the SMILES notation for [(E)-2-methylpropylideneamino] N-(2-propan-2-ylphenyl)carbamate?
The canonical SMILES for [(E)-2-methylpropylideneamino] N-(2-propan-2-ylphenyl)carbamate is CC(C)/C=N/OC(=O)Nc1ccccc1C(C)C.
What is the InChIKey of [(E)-2-methylpropylideneamino] N-(2-propan-2-ylphenyl)carbamate?
The InChIKey is QBQCSRAYUPVFOG-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)9-15-18-14(17)16-13-8-6-5-7-12(13)11(3)4/h5-11H,1-4H3,(H,16,17)/b15-9+.
What are the key properties of [(E)-2-methylpropylideneamino] N-(2-propan-2-ylphenyl)carbamate?
[(E)-2-methylpropylideneamino] N-(2-propan-2-ylphenyl)carbamate has a molecular weight of 248.33 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-methylpropylideneamino] N-(2-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 142438324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).