N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide

C11H22N4O2 — CID 107173328

IUPACN'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide
SMILESCC(=O)NNC(=O)CN(C)C1CCCNCC1
InChIInChI=1S/C11H22N4O2/c1-9(16)13-14-11(17)8-15(2)10-4-3-6-12-7-5-10/h10,12H,3-8H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyWTSFWZIDORLXIL-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.77
Rot. Bonds3

About N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide

N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide (PubChem CID 107173328) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide
PubChem CID107173328
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC NameN'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide
SMILESCC(=O)NNC(=O)CN(C)C1CCCNCC1
InChIInChI=1S/C11H22N4O2/c1-9(16)13-14-11(17)8-15(2)10-4-3-6-12-7-5-10/h10,12H,3-8H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyWTSFWZIDORLXIL-UHFFFAOYSA-N
XLogP-0.77
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 104979461
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 104979554
2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 104979591
2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide
CID 104979596
N'-acetyl-2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetohydrazide
CID 61233382
2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide
CID 113361714
2-[azepan-4-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 104979446
2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 104979577
2-[azepan-4-yl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 104979582
N-(3-chloro-2-methylprop-2-enyl)-N-methylazepan-4-amine
CID 106439564
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide?
The IUPAC name of N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide (CID 107173328) is N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide.
What is the SMILES notation for N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide?
The canonical SMILES for N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide is CC(=O)NNC(=O)CN(C)C1CCCNCC1.
What is the InChIKey of N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide?
The InChIKey is WTSFWZIDORLXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-9(16)13-14-11(17)8-15(2)10-4-3-6-12-7-5-10/h10,12H,3-8H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide?
N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide has a molecular weight of 242.32 g/mol, XLogP of -0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide is sourced from PubChem (CID 107173328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).