N-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide

C15H24N4O2 — CID 77026876

IUPACN-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNCCCCC(N)=NO)cc1
InChIInChI=1S/C15H24N4O2/c1-12-5-7-13(8-6-12)15(20)18-11-10-17-9-3-2-4-14(16)19-21/h5-8,17,21H,2-4,9-11H2,1H3,(H2,16,19)(H,18,20)
InChIKeyICKAPBYPEQCDEN-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.23
Rot. Bonds9

About N-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide

N-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide (PubChem CID 77026876) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide
PubChem CID77026876
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNCCCCC(N)=NO)cc1
InChIInChI=1S/C15H24N4O2/c1-12-5-7-13(8-6-12)15(20)18-11-10-17-9-3-2-4-14(16)19-21/h5-8,17,21H,2-4,9-11H2,1H3,(H2,16,19)(H,18,20)
InChIKeyICKAPBYPEQCDEN-UHFFFAOYSA-N
XLogP1.23
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide
CID 77027007
N-(4-amino-4-hydroxyiminobutyl)-4-methylbenzamide
CID 76947565
N-(5-amino-5-hydroxyiminopentyl)-3,4-dimethylbenzamide
CID 77036912
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
N-(5-amino-5-hydroxyiminopentyl)-2-hydroxy-4-methylbenzamide
CID 77036728
N-[2-[(1-amino-1-hydroxyiminopentan-3-yl)amino]ethyl]-4-methylbenzamide
CID 77026878
N-(5-amino-5-hydroxyiminopentyl)-4-(difluoromethoxy)benzamide
CID 77036856
methyl 3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
CID 54880678
7-[(4-methylbenzoyl)amino]heptanoic acid
CID 24695278
N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide
CID 79733246
N-(5-amino-5-oxopentyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 106240158
N-(4-amino-4-sulfanylidenebutyl)-4-methylbenzamide
CID 62666220

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide (CID 77026876) is N-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNCCCCC(N)=NO)cc1.
What is the InChIKey of N-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide?
The InChIKey is ICKAPBYPEQCDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12-5-7-13(8-6-12)15(20)18-11-10-17-9-3-2-4-14(16)19-21/h5-8,17,21H,2-4,9-11H2,1H3,(H2,16,19)(H,18,20).
What are the key properties of N-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide?
N-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.23, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 77026876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).