N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide

C15H21N3O3 — CID 77044490

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(CC(N)=NO)C1CCCC1
InChIInChI=1S/C15H21N3O3/c1-21-13-9-5-4-8-12(13)15(19)18(10-14(16)17-20)11-6-2-3-7-11/h4-5,8-9,11,20H,2-3,6-7,10H2,1H3,(H2,16,17)
InChIKeyLBPQRBJQQTYETI-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.83
Rot. Bonds5

About N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide

N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide (PubChem CID 77044490) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide
PubChem CID77044490
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(CC(N)=NO)C1CCCC1
InChIInChI=1S/C15H21N3O3/c1-21-13-9-5-4-8-12(13)15(19)18(10-14(16)17-20)11-6-2-3-7-11/h4-5,8-9,11,20H,2-3,6-7,10H2,1H3,(H2,16,17)
InChIKeyLBPQRBJQQTYETI-UHFFFAOYSA-N
XLogP1.83
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxypyridine-3-carboxamide
CID 77037925
N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentylbenzamide
CID 77044705
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-fluoro-3-methylbenzamide
CID 81479946
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methylfuran-3-carboxamide
CID 77044866
N-(2-amino-2-hydroxyiminoethyl)-2-bromo-N-cyclopentyl-5-fluorobenzamide
CID 77038165
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2,5-dimethylfuran-3-carboxamide
CID 77038100
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-6-methylpyridine-2-carboxamide
CID 77044653
N-(2-amino-2-hydroxyiminoethyl)-5-chloro-N-cyclopentyl-2-hydroxybenzamide
CID 77038093
N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-chloro-N-cyclopentylbenzamide
CID 77044484
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-methylpyridine-4-carboxamide
CID 106753961
(2S)-3-[cyclopropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 95540234
N-(azetidin-3-yl)-N-ethyl-2-methoxybenzamide
CID 66182739

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide (CID 77044490) is N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide is COc1ccccc1C(=O)N(CC(N)=NO)C1CCCC1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide?
The InChIKey is LBPQRBJQQTYETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-13-9-5-4-8-12(13)15(19)18(10-14(16)17-20)11-6-2-3-7-11/h4-5,8-9,11,20H,2-3,6-7,10H2,1H3,(H2,16,17).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide?
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide has a molecular weight of 291.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-methoxybenzamide is sourced from PubChem (CID 77044490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).