N-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide

C13H26N2O — CID 64907400

IUPACN-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NC1CCC(C)C1C
InChIInChI=1S/C13H26N2O/c1-9(2)14-8-7-13(16)15-12-6-5-10(3)11(12)4/h9-12,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyLWKOSNZOFGZZCY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.93
Rot. Bonds5

About N-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide

N-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide (PubChem CID 64907400) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide
PubChem CID64907400
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NC1CCC(C)C1C
InChIInChI=1S/C13H26N2O/c1-9(2)14-8-7-13(16)15-12-6-5-10(3)11(12)4/h9-12,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyLWKOSNZOFGZZCY-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide (CID 64907400) is N-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)NC1CCC(C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is LWKOSNZOFGZZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)14-8-7-13(16)15-12-6-5-10(3)11(12)4/h9-12,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of N-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide?
N-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 226.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 64907400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).