N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclopentyl-N-ethylpropanamide

C14H27N3O2 — CID 54987978

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclopentyl-N-ethylpropanamide
SMILESCCN(CC(C)/C(N)=N/O)C(=O)CCC1CCCC1
InChIInChI=1S/C14H27N3O2/c1-3-17(10-11(2)14(15)16-19)13(18)9-8-12-6-4-5-7-12/h11-12,19H,3-10H2,1-2H3,(H2,15,16)
InChIKeyFGUOAYSIRIBEFR-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.19
Rot. Bonds7

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclopentyl-N-ethylpropanamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclopentyl-N-ethylpropanamide (PubChem CID 54987978) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclopentyl-N-ethylpropanamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclopentyl-N-ethylpropanamide
PubChem CID54987978
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclopentyl-N-ethylpropanamide
SMILESCCN(CC(C)/C(N)=N/O)C(=O)CCC1CCCC1
InChIInChI=1S/C14H27N3O2/c1-3-17(10-11(2)14(15)16-19)13(18)9-8-12-6-4-5-7-12/h11-12,19H,3-10H2,1-2H3,(H2,15,16)
InChIKeyFGUOAYSIRIBEFR-UHFFFAOYSA-N
XLogP2.19
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
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

N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932224
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932336
N-(3-amino-3-hydroxyiminopropyl)-4,4-difluoro-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 81932399
N-(3-amino-3-hydroxyiminopropyl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide
CID 81933055
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4,4-difluorocyclohexane-1-carboxamide
CID 81933074
N-(3-amino-3-hydroxyiminopropyl)-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81933089
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-4,4-difluorocyclohexane-1-carboxamide
CID 81933090
N-(3-amino-3-hydroxyimino-2-methylpropyl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide
CID 81933109
N-(3-amino-3-hydroxyiminopropyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622532
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622539
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622540
N-(3-amino-3-hydroxyiminopropyl)-3,3-difluoro-N-methylcyclohexane-1-carboxamide
CID 114226551

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclopentyl-N-ethylpropanamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclopentyl-N-ethylpropanamide (CID 54987978) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclopentyl-N-ethylpropanamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclopentyl-N-ethylpropanamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclopentyl-N-ethylpropanamide is CCN(CC(C)/C(N)=N/O)C(=O)CCC1CCCC1.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclopentyl-N-ethylpropanamide?
The InChIKey is FGUOAYSIRIBEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-17(10-11(2)14(15)16-19)13(18)9-8-12-6-4-5-7-12/h11-12,19H,3-10H2,1-2H3,(H2,15,16).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclopentyl-N-ethylpropanamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclopentyl-N-ethylpropanamide has a molecular weight of 269.39 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3-cyclopentyl-N-ethylpropanamide is sourced from PubChem (CID 54987978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).