N-cyclopentyl-2-(pentan-2-ylamino)propanamide

C13H26N2O — CID 4878529

IUPACN-cyclopentyl-2-(pentan-2-ylamino)propanamide
SMILESCCCC(C)NC(C)C(=O)NC1CCCC1
InChIInChI=1S/C13H26N2O/c1-4-7-10(2)14-11(3)13(16)15-12-8-5-6-9-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyHZNSQZSYXOESAW-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.21
Rot. Bonds6

About N-cyclopentyl-2-(pentan-2-ylamino)propanamide

N-cyclopentyl-2-(pentan-2-ylamino)propanamide (PubChem CID 4878529) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-cyclopentyl-2-(pentan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(pentan-2-ylamino)propanamide
PubChem CID4878529
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-cyclopentyl-2-(pentan-2-ylamino)propanamide
SMILESCCCC(C)NC(C)C(=O)NC1CCCC1
InChIInChI=1S/C13H26N2O/c1-4-7-10(2)14-11(3)13(16)15-12-8-5-6-9-12/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyHZNSQZSYXOESAW-UHFFFAOYSA-N
XLogP2.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(pentan-2-ylamino)propanamide?
The IUPAC name of N-cyclopentyl-2-(pentan-2-ylamino)propanamide (CID 4878529) is N-cyclopentyl-2-(pentan-2-ylamino)propanamide.
What is the SMILES notation for N-cyclopentyl-2-(pentan-2-ylamino)propanamide?
The canonical SMILES for N-cyclopentyl-2-(pentan-2-ylamino)propanamide is CCCC(C)NC(C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(pentan-2-ylamino)propanamide?
The InChIKey is HZNSQZSYXOESAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-7-10(2)14-11(3)13(16)15-12-8-5-6-9-12/h10-12,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-cyclopentyl-2-(pentan-2-ylamino)propanamide?
N-cyclopentyl-2-(pentan-2-ylamino)propanamide has a molecular weight of 226.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(pentan-2-ylamino)propanamide is sourced from PubChem (CID 4878529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).