3-amino-2-benzyl-N-cyclobutyl-3-hydroxyiminopropanamide

C14H19N3O2 — CID 76943418

IUPAC3-amino-2-benzyl-N-cyclobutyl-3-hydroxyiminopropanamide
SMILESNC(=NO)C(Cc1ccccc1)C(=O)NC1CCC1
InChIInChI=1S/C14H19N3O2/c15-13(17-19)12(9-10-5-2-1-3-6-10)14(18)16-11-7-4-8-11/h1-3,5-6,11-12,19H,4,7-9H2,(H2,15,17)(H,16,18)
InChIKeyCCLNMBMNFKDSEA-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.26
Rot. Bonds5

About 3-amino-2-benzyl-N-cyclobutyl-3-hydroxyiminopropanamide

3-amino-2-benzyl-N-cyclobutyl-3-hydroxyiminopropanamide (PubChem CID 76943418) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-amino-2-benzyl-N-cyclobutyl-3-hydroxyiminopropanamide.

Molecular Properties

Compound Name3-amino-2-benzyl-N-cyclobutyl-3-hydroxyiminopropanamide
PubChem CID76943418
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-amino-2-benzyl-N-cyclobutyl-3-hydroxyiminopropanamide
SMILESNC(=NO)C(Cc1ccccc1)C(=O)NC1CCC1
InChIInChI=1S/C14H19N3O2/c15-13(17-19)12(9-10-5-2-1-3-6-10)14(18)16-11-7-4-8-11/h1-3,5-6,11-12,19H,4,7-9H2,(H2,15,17)(H,16,18)
InChIKeyCCLNMBMNFKDSEA-UHFFFAOYSA-N
XLogP1.26
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 23297928
3-amino-2-benzyl-N-(oxan-3-yl)-3-sulfanylidenepropanamide
CID 63361577
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide
CID 66644721
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride
CID 66644720
N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926807
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119309135
2-(N'-hydroxycarbamimidoyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
CID 76939422
N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 77037476
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
3-amino-N-(2-amino-2-oxoethyl)-2-benzyl-3-hydroxyimino-N-methylpropanamide
CID 76926817
3-amino-2-benzyl-3-hydroxyimino-N,N-dipropylpropanamide
CID 76925880
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319374

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-benzyl-N-cyclobutyl-3-hydroxyiminopropanamide?
The IUPAC name of 3-amino-2-benzyl-N-cyclobutyl-3-hydroxyiminopropanamide (CID 76943418) is 3-amino-2-benzyl-N-cyclobutyl-3-hydroxyiminopropanamide.
What is the SMILES notation for 3-amino-2-benzyl-N-cyclobutyl-3-hydroxyiminopropanamide?
The canonical SMILES for 3-amino-2-benzyl-N-cyclobutyl-3-hydroxyiminopropanamide is NC(=NO)C(Cc1ccccc1)C(=O)NC1CCC1.
What is the InChIKey of 3-amino-2-benzyl-N-cyclobutyl-3-hydroxyiminopropanamide?
The InChIKey is CCLNMBMNFKDSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-13(17-19)12(9-10-5-2-1-3-6-10)14(18)16-11-7-4-8-11/h1-3,5-6,11-12,19H,4,7-9H2,(H2,15,17)(H,16,18).
What are the key properties of 3-amino-2-benzyl-N-cyclobutyl-3-hydroxyiminopropanamide?
3-amino-2-benzyl-N-cyclobutyl-3-hydroxyiminopropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-benzyl-N-cyclobutyl-3-hydroxyiminopropanamide is sourced from PubChem (CID 76943418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).