2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide

C13H25N3O2 — CID 16577824

IUPAC2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN(C)C1CCCCCC1
InChIInChI=1S/C13H25N3O2/c1-3-14-13(18)15-12(17)10-16(2)11-8-6-4-5-7-9-11/h11H,3-10H2,1-2H3,(H2,14,15,17,18)
InChIKeyZPDQZHIVGMMYMT-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.49
Rot. Bonds4

About 2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide

2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide (PubChem CID 16577824) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
PubChem CID16577824
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN(C)C1CCCCCC1
InChIInChI=1S/C13H25N3O2/c1-3-14-13(18)15-12(17)10-16(2)11-8-6-4-5-7-9-11/h11H,3-10H2,1-2H3,(H2,14,15,17,18)
InChIKeyZPDQZHIVGMMYMT-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
CID 46800805
2-[cyclohexyl(methyl)amino]-N-(propylcarbamoyl)acetamide
CID 40706145
N-(ethylcarbamoyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607364
2-[cyclohexyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 40706155
2-[cyclopentyl(methyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 47126757
2-[cycloheptyl(methyl)amino]acetohydrazide
CID 63574269
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid
CID 39258593
2-[[2-[cyclopropyl(methyl)amino]acetyl]amino]-N-ethylacetamide
CID 55628038
cyclooctyl-[2-(ethylcarbamoylamino)-2-oxoethyl]azanium
CID 9265109
2-[(3-aminocyclohexyl)-methylamino]-N-ethylacetamide
CID 79469564
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide
CID 106631667
2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 104979461

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide (CID 16577824) is 2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CN(C)C1CCCCCC1.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide?
The InChIKey is ZPDQZHIVGMMYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-14-13(18)15-12(17)10-16(2)11-8-6-4-5-7-9-11/h11H,3-10H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide?
2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide has a molecular weight of 255.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 16577824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).