N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide

C13H25N3O2 — CID 112994995

IUPACN-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide
SMILESCC(C)NC(=O)NCC(=O)NC1CCCCCC1
InChIInChI=1S/C13H25N3O2/c1-10(2)15-13(18)14-9-12(17)16-11-7-5-3-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyJTKICRZSAZWXLC-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.53
Rot. Bonds4

About N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide

N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide (PubChem CID 112994995) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide
PubChem CID112994995
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide
SMILESCC(C)NC(=O)NCC(=O)NC1CCCCCC1
InChIInChI=1S/C13H25N3O2/c1-10(2)15-13(18)14-9-12(17)16-11-7-5-3-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyJTKICRZSAZWXLC-UHFFFAOYSA-N
XLogP1.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-(cyclopentylcarbamoylamino)acetamide
CID 84516190
N-cyclopentyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43402010
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600
(2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid
CID 104965896
N-[2-(cyclohexylamino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119759466
potassium;N-cyclohexylpropanamide;hydride
CID 173020790
2-(cyclohexylcarbamoylamino)-N-(2-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120597978
N-cycloheptyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 62573821
(2R)-2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoic acid
CID 83194051
2-(cyclohexylcarbamoylamino)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829409

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide?
The IUPAC name of N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide (CID 112994995) is N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide?
The canonical SMILES for N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide is CC(C)NC(=O)NCC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide?
The InChIKey is JTKICRZSAZWXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)15-13(18)14-9-12(17)16-11-7-5-3-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide?
N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide has a molecular weight of 255.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide is sourced from PubChem (CID 112994995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).