2-(cyclopropylamino)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide

C14H25N3O2 — CID 173486398

IUPAC2-(cyclopropylamino)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide
SMILES[H]/N=C(\C=C(/O)C(C)(C)C)NC(=O)C(C)(C)NC1CC1
InChIInChI=1S/C14H25N3O2/c1-13(2,3)10(18)8-11(15)16-12(19)14(4,5)17-9-6-7-9/h8-9,17-18H,6-7H2,1-5H3,(H2,15,16,19)/b10-8-
InChIKeyCCIBQLNYRAIIDQ-NTMALXAHSA-N
MW267.37 g/mol
LogP2.10
Rot. Bonds4

About 2-(cyclopropylamino)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide

2-(cyclopropylamino)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide (PubChem CID 173486398) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide
PubChem CID173486398
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-(cyclopropylamino)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide
SMILES[H]/N=C(\C=C(/O)C(C)(C)C)NC(=O)C(C)(C)NC1CC1
InChIInChI=1S/C14H25N3O2/c1-13(2,3)10(18)8-11(15)16-12(19)14(4,5)17-9-6-7-9/h8-9,17-18H,6-7H2,1-5H3,(H2,15,16,19)/b10-8-
InChIKeyCCIBQLNYRAIIDQ-NTMALXAHSA-N
XLogP2.10
TPSA85.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide (CID 173486398) is 2-(cyclopropylamino)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide is [H]/N=C(\C=C(/O)C(C)(C)C)NC(=O)C(C)(C)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide?
The InChIKey is CCIBQLNYRAIIDQ-NTMALXAHSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-13(2,3)10(18)8-11(15)16-12(19)14(4,5)17-9-6-7-9/h8-9,17-18H,6-7H2,1-5H3,(H2,15,16,19)/b10-8-.
What are the key properties of 2-(cyclopropylamino)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide?
2-(cyclopropylamino)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide has a molecular weight of 267.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[(Z)-3-hydroxy-4,4-dimethylpent-2-enimidoyl]-2-methylpropanamide is sourced from PubChem (CID 173486398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).