N-(5-amino-5-hydroxyiminopentyl)-2,3-dimethoxybenzamide

C14H21N3O4 — CID 77036754

IUPACN-(5-amino-5-hydroxyiminopentyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCCCCC(N)=NO)c1OC
InChIInChI=1S/C14H21N3O4/c1-20-11-7-5-6-10(13(11)21-2)14(18)16-9-4-3-8-12(15)17-19/h5-7,19H,3-4,8-9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeySJVDABJJKHVKBG-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.35
Rot. Bonds8

About N-(5-amino-5-hydroxyiminopentyl)-2,3-dimethoxybenzamide

N-(5-amino-5-hydroxyiminopentyl)-2,3-dimethoxybenzamide (PubChem CID 77036754) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(5-amino-5-hydroxyiminopentyl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-5-hydroxyiminopentyl)-2,3-dimethoxybenzamide
PubChem CID77036754
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-(5-amino-5-hydroxyiminopentyl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCCCCC(N)=NO)c1OC
InChIInChI=1S/C14H21N3O4/c1-20-11-7-5-6-10(13(11)21-2)14(18)16-9-4-3-8-12(15)17-19/h5-7,19H,3-4,8-9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeySJVDABJJKHVKBG-UHFFFAOYSA-N
XLogP1.35
TPSA106.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
N-(6-bromohexyl)-2,3-dimethoxybenzamide
CID 107847510
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514
N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide
CID 43601624
N-[(5Z)-5-amino-5-hydroxyiminopentyl]-2-bromo-3-methylbenzamide
CID 107983695
N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide
CID 79733246
N-[3-(2-bromoethoxy)propyl]-2,3-dimethoxybenzamide
CID 106307155
5-[[2-(difluoromethoxy)-3-methoxybenzoyl]amino]pentanoic acid
CID 119234605
2,3-dimethoxy-N-(3-phenylsulfanylpropyl)benzamide
CID 38568099
11-[(2-methoxybenzoyl)amino]undecanoic acid
CID 20625360
N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119630210
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-2,3-dimethoxybenzamide (CID 77036754) is N-(5-amino-5-hydroxyiminopentyl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(5-amino-5-hydroxyiminopentyl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(5-amino-5-hydroxyiminopentyl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCCCCC(N)=NO)c1OC.
What is the InChIKey of N-(5-amino-5-hydroxyiminopentyl)-2,3-dimethoxybenzamide?
The InChIKey is SJVDABJJKHVKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-20-11-7-5-6-10(13(11)21-2)14(18)16-9-4-3-8-12(15)17-19/h5-7,19H,3-4,8-9H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-(5-amino-5-hydroxyiminopentyl)-2,3-dimethoxybenzamide?
N-(5-amino-5-hydroxyiminopentyl)-2,3-dimethoxybenzamide has a molecular weight of 295.34 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-hydroxyiminopentyl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 77036754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).