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

C13H24N4O2 — CID 104979591

IUPAC2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
SMILESCN(CC(=O)NC(=O)NC1CC1)C1CCCNCC1
InChIInChI=1S/C13H24N4O2/c1-17(11-3-2-7-14-8-6-11)9-12(18)16-13(19)15-10-4-5-10/h10-11,14H,2-9H2,1H3,(H2,15,16,18,19)
InChIKeyHORJZTYPPUIJTK-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.05
Rot. Bonds4

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

2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide (PubChem CID 104979591) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
PubChem CID104979591
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
SMILESCN(CC(=O)NC(=O)NC1CC1)C1CCCNCC1
InChIInChI=1S/C13H24N4O2/c1-17(11-3-2-7-14-8-6-11)9-12(18)16-13(19)15-10-4-5-10/h10-11,14H,2-9H2,1H3,(H2,15,16,18,19)
InChIKeyHORJZTYPPUIJTK-UHFFFAOYSA-N
XLogP0.05
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylcarbamoyl)-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119913095
2-[cyclopentyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 47126757
2-[cyclohexyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 40706155
2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 104979461
N-(cyclopropylcarbamoyl)-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 47113229
N-(cyclopentylcarbamoyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60807146
N-(ethylcarbamoyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607364
N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide
CID 107173328
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 104979554
N-(cyclopropylcarbamoyl)-2-[(2-hydroxycyclohexyl)-methylamino]acetamide
CID 102636538
N-cyclohexyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63644075

Frequently Asked Questions

What is the IUPAC name of 2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide?
The IUPAC name of 2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide (CID 104979591) is 2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide?
The canonical SMILES for 2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide is CN(CC(=O)NC(=O)NC1CC1)C1CCCNCC1.
What is the InChIKey of 2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide?
The InChIKey is HORJZTYPPUIJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-17(11-3-2-7-14-8-6-11)9-12(18)16-13(19)15-10-4-5-10/h10-11,14H,2-9H2,1H3,(H2,15,16,18,19).
What are the key properties of 2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide?
2-[azepan-4-yl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide has a molecular weight of 268.36 g/mol, XLogP of 0.05, 4 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-(cyclopropylcarbamoyl)acetamide is sourced from PubChem (CID 104979591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).