2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide

C13H25N3O2 — CID 43236392

IUPAC2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)NC1CCCCCC1
InChIInChI=1S/C13H25N3O2/c1-3-14-13(18)16-12(17)10(2)15-11-8-6-4-5-7-9-11/h10-11,15H,3-9H2,1-2H3,(H2,14,16,17,18)
InChIKeyPGTHCKRWLLPYOA-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.53
Rot. Bonds4

About 2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide

2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide (PubChem CID 43236392) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide
PubChem CID43236392
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide
SMILESCCNC(=O)NC(=O)C(C)NC1CCCCCC1
InChIInChI=1S/C13H25N3O2/c1-3-14-13(18)16-12(17)10(2)15-11-8-6-4-5-7-9-11/h10-11,15H,3-9H2,1-2H3,(H2,14,16,17,18)
InChIKeyPGTHCKRWLLPYOA-UHFFFAOYSA-N
XLogP1.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
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 ≤ 103

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Related Compounds

2-(cyclopentylmethylamino)-N-(ethylcarbamoyl)propanamide
CID 43317222
2-(cyclohexylamino)-N-cyclopentylpropanamide
CID 43083335
N-cyclohexyl-2-(cyclooctylamino)propanamide
CID 43083622
2-(cycloheptylamino)-N-cyclohexylpropanamide
CID 43236394
2-(cyclohexylamino)-N-(2-methylpropyl)propanamide
CID 43086810
N-cyclopentyl-2-(cyclopropylamino)propanamide
CID 43083564
2-(cyclooctylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115571393
N-ethyl-2-[(1-ethylazepan-4-yl)amino]propanamide
CID 65074151
(2R)-2-[(1-methylpiperidin-4-yl)amino]-N-(2-methylpropylcarbamoyl)propanamide
CID 95779850
ethyl 2-(cyclooctylamino)propanoate
CID 61498293
2-(cycloheptylamino)-N,N-diethylpropanamide
CID 43132181
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide?
The IUPAC name of 2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide (CID 43236392) is 2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide.
What is the SMILES notation for 2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide?
The canonical SMILES for 2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide is CCNC(=O)NC(=O)C(C)NC1CCCCCC1.
What is the InChIKey of 2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide?
The InChIKey is PGTHCKRWLLPYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-14-13(18)16-12(17)10(2)15-11-8-6-4-5-7-9-11/h10-11,15H,3-9H2,1-2H3,(H2,14,16,17,18).
What are the key properties of 2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide?
2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide has a molecular weight of 255.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide is sourced from PubChem (CID 43236392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).