2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide

C13H28N2O2 — CID 62014639

IUPAC2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide
SMILESCCCN(CCO)C(C)C(=O)NC(CC)CC
InChIInChI=1S/C13H28N2O2/c1-5-8-15(9-10-16)11(4)13(17)14-12(6-2)7-3/h11-12,16H,5-10H2,1-4H3,(H,14,17)
InChIKeyTVHQCPIZXBEBNA-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.38
Rot. Bonds9

About 2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide

2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide (PubChem CID 62014639) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide
PubChem CID62014639
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide
SMILESCCCN(CCO)C(C)C(=O)NC(CC)CC
InChIInChI=1S/C13H28N2O2/c1-5-8-15(9-10-16)11(4)13(17)14-12(6-2)7-3/h11-12,16H,5-10H2,1-4H3,(H,14,17)
InChIKeyTVHQCPIZXBEBNA-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide
CID 62020833
2-[2-hydroxyethyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 62014640
N-butan-2-yl-2-[butyl(2-hydroxyethyl)amino]propanamide
CID 62016390
N-cyclopropyl-2-[2-hydroxyethyl(propyl)amino]propanamide
CID 60691805
2-[butyl(2-hydroxyethyl)amino]-N-pentylpropanamide
CID 62016391
2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
CID 107426058
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide
CID 107485178
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide
CID 107494530
2-[bis(2-hydroxyethyl)amino]-N-tert-butylpropanamide
CID 60686797
2-[2-hydroxyethyl(propyl)amino]-3-methylbutanoic acid
CID 61425240
2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 43137331
2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 60685692

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide (CID 62014639) is 2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide is CCCN(CCO)C(C)C(=O)NC(CC)CC.
What is the InChIKey of 2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide?
The InChIKey is TVHQCPIZXBEBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-8-15(9-10-16)11(4)13(17)14-12(6-2)7-3/h11-12,16H,5-10H2,1-4H3,(H,14,17).
What are the key properties of 2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide?
2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide has a molecular weight of 244.38 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 62014639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).