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

C12H26N2O2 — CID 62020833

IUPAC2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N(CC)CCO
InChIInChI=1S/C12H26N2O2/c1-5-11(6-2)13-12(16)10(4)14(7-3)8-9-15/h10-11,15H,5-9H2,1-4H3,(H,13,16)
InChIKeyBFHRJDYKKQUXTP-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.99
Rot. Bonds8

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

2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide (PubChem CID 62020833) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide
PubChem CID62020833
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)N(CC)CCO
InChIInChI=1S/C12H26N2O2/c1-5-11(6-2)13-12(16)10(4)14(7-3)8-9-15/h10-11,15H,5-9H2,1-4H3,(H,13,16)
InChIKeyBFHRJDYKKQUXTP-UHFFFAOYSA-N
XLogP0.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-hydroxyethyl(propyl)amino]-N-pentan-3-ylpropanamide
CID 62014639
N-butan-2-yl-2-[ethyl(3-hydroxypropyl)amino]propanamide
CID 115869014
2-[ethyl(2-hydroxyethyl)amino]-N-(2-methylpropyl)propanamide
CID 60686188
3-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]-ethylamino]propanoic acid
CID 61010078
2-[ethyl(2-hydroxyethyl)amino]-N-(methylcarbamoyl)propanamide
CID 60685692
2-[2-(dimethylamino)ethyl-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetic acid
CID 107426058
N-butan-2-yl-2-[butyl(2-hydroxyethyl)amino]propanamide
CID 62016390
2-[2-hydroxyethyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 62014640
2-[ethyl(2-hydroxyethyl)amino]-N,N-dimethylpropanamide
CID 60686110
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide
CID 107494530
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[ethyl(2-hydroxyethyl)amino]propanamide
CID 110881340
2-[ethyl(2-hydroxyethyl)amino]butanoic acid
CID 60981042

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide (CID 62020833) is 2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)N(CC)CCO.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide?
The InChIKey is BFHRJDYKKQUXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-11(6-2)13-12(16)10(4)14(7-3)8-9-15/h10-11,15H,5-9H2,1-4H3,(H,13,16).
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide?
2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide has a molecular weight of 230.35 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 62020833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).