4-[(propan-2-ylamino)carbamoyl]-N-propan-2-yliminobenzamide

C14H20N4O2 — CID 121440928

IUPAC4-[(propan-2-ylamino)carbamoyl]-N-propan-2-yliminobenzamide
SMILESCC(C)/N=N/C(=O)c1ccc(C(=O)NNC(C)C)cc1
InChIInChI=1S/C14H20N4O2/c1-9(2)15-17-13(19)11-5-7-12(8-6-11)14(20)18-16-10(3)4/h5-10,15H,1-4H3,(H,17,19)/b18-16+
InChIKeyOTMXEGSESSBEKO-FBMGVBCBSA-N
MW276.34 g/mol
LogP2.33
Rot. Bonds5

About 4-[(propan-2-ylamino)carbamoyl]-N-propan-2-yliminobenzamide

4-[(propan-2-ylamino)carbamoyl]-N-propan-2-yliminobenzamide (PubChem CID 121440928) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[(propan-2-ylamino)carbamoyl]-N-propan-2-yliminobenzamide.

Molecular Properties

Compound Name4-[(propan-2-ylamino)carbamoyl]-N-propan-2-yliminobenzamide
PubChem CID121440928
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-[(propan-2-ylamino)carbamoyl]-N-propan-2-yliminobenzamide
SMILESCC(C)/N=N/C(=O)c1ccc(C(=O)NNC(C)C)cc1
InChIInChI=1S/C14H20N4O2/c1-9(2)15-17-13(19)11-5-7-12(8-6-11)14(20)18-16-10(3)4/h5-10,15H,1-4H3,(H,17,19)/b18-16+
InChIKeyOTMXEGSESSBEKO-FBMGVBCBSA-N
XLogP2.33
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(propan-2-ylamino)carbamoyl]phenyl]methanimine oxide
CID 58689915
N'-[(2R)-3-methylbutan-2-yl]benzohydrazide
CID 134967079
N'-propan-2-ylazulene-2-carbohydrazide;dihydrochloride
CID 175377849
2,3,5,6-tetradeuterio-N'-propan-2-ylpyridine-4-carbohydrazide
CID 162641981
4-hydroxy-N-(3-methylbutan-2-yl)benzamide
CID 43084897
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
4-chloro-N-propan-2-ylbenzamide
CID 24045
4-(dimethylamino)-N'-(1-phenylethyl)benzohydrazide
CID 19432094
4-(dimethylamino)-N'-[(1S)-1-phenylethyl]benzohydrazide
CID 11832930
1-[(4-fluorobenzoyl)amino]-3-(3-methylbutan-2-yl)urea
CID 47159837
1-[[4-(benzamidocarbamoyl)phenyl]methyl]-3-propan-2-ylurea
CID 40727881
4-acetyl-N-(3-methylbutan-2-yl)benzamide
CID 18712014

Frequently Asked Questions

What is the IUPAC name of 4-[(propan-2-ylamino)carbamoyl]-N-propan-2-yliminobenzamide?
The IUPAC name of 4-[(propan-2-ylamino)carbamoyl]-N-propan-2-yliminobenzamide (CID 121440928) is 4-[(propan-2-ylamino)carbamoyl]-N-propan-2-yliminobenzamide.
What is the SMILES notation for 4-[(propan-2-ylamino)carbamoyl]-N-propan-2-yliminobenzamide?
The canonical SMILES for 4-[(propan-2-ylamino)carbamoyl]-N-propan-2-yliminobenzamide is CC(C)/N=N/C(=O)c1ccc(C(=O)NNC(C)C)cc1.
What is the InChIKey of 4-[(propan-2-ylamino)carbamoyl]-N-propan-2-yliminobenzamide?
The InChIKey is OTMXEGSESSBEKO-FBMGVBCBSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(2)15-17-13(19)11-5-7-12(8-6-11)14(20)18-16-10(3)4/h5-10,15H,1-4H3,(H,17,19)/b18-16+.
What are the key properties of 4-[(propan-2-ylamino)carbamoyl]-N-propan-2-yliminobenzamide?
4-[(propan-2-ylamino)carbamoyl]-N-propan-2-yliminobenzamide has a molecular weight of 276.34 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(propan-2-ylamino)carbamoyl]-N-propan-2-yliminobenzamide is sourced from PubChem (CID 121440928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).