2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide

C11H22N4O2 — CID 104979461

IUPAC2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(C)C1CCCNCC1
InChIInChI=1S/C11H22N4O2/c1-12-11(17)14-10(16)8-15(2)9-4-3-6-13-7-5-9/h9,13H,3-8H2,1-2H3,(H2,12,14,16,17)
InChIKeyMOBGVUGQTANCSD-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.48
Rot. Bonds3

About 2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide

2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide (PubChem CID 104979461) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
PubChem CID104979461
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(C)C1CCCNCC1
InChIInChI=1S/C11H22N4O2/c1-12-11(17)14-10(16)8-15(2)9-4-3-6-13-7-5-9/h9,13H,3-8H2,1-2H3,(H2,12,14,16,17)
InChIKeyMOBGVUGQTANCSD-UHFFFAOYSA-N
XLogP-0.48
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 ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 104979591
N-(ethylcarbamoyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607364
N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide
CID 107173328
N-(cyclopropylcarbamoyl)-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119913095
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 104979554
ethyl N-[2-[methyl(piperidin-4-yl)amino]acetyl]carbamate
CID 43607361
2-[cyclopentyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 47126757
2-[azepan-4-yl(methyl)amino]-N-(4-bromophenyl)acetamide
CID 104979596
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-[cyclohexyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
CID 46800805

Frequently Asked Questions

What is the IUPAC name of 2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide (CID 104979461) is 2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN(C)C1CCCNCC1.
What is the InChIKey of 2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide?
The InChIKey is MOBGVUGQTANCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-12-11(17)14-10(16)8-15(2)9-4-3-6-13-7-5-9/h9,13H,3-8H2,1-2H3,(H2,12,14,16,17).
What are the key properties of 2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide?
2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide has a molecular weight of 242.32 g/mol, XLogP of -0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 104979461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).