3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide

C13H28N2O2 — CID 114168522

IUPAC3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide
SMILESCCNC(C)CC(=O)NCC(O)C(CC)CC
InChIInChI=1S/C13H28N2O2/c1-5-11(6-2)12(16)9-15-13(17)8-10(4)14-7-3/h10-12,14,16H,5-9H2,1-4H3,(H,15,17)
InChIKeyAJOUAMOONHAWDM-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.29
Rot. Bonds9

About 3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide

3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide (PubChem CID 114168522) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide
PubChem CID114168522
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide
SMILESCCNC(C)CC(=O)NCC(O)C(CC)CC
InChIInChI=1S/C13H28N2O2/c1-5-11(6-2)12(16)9-15-13(17)8-10(4)14-7-3/h10-12,14,16H,5-9H2,1-4H3,(H,15,17)
InChIKeyAJOUAMOONHAWDM-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(ethylamino)butanoylamino]-2-methylpropanoic acid
CID 62833119
4-[3-(ethylamino)butanoylamino]-3-methylbutanoic acid
CID 81073006
4-amino-N-(3-ethyl-2-hydroxypentyl)pentanamide;hydrochloride
CID 120562635
N-butyl-3-(ethylamino)butanamide
CID 62838234
2-acetamido-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658528
N-(2,2-dimethylpropyl)-3-(ethylamino)butanamide
CID 62838899
N-ethyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide
CID 106286124
3-(ethylamino)-N-(2-phenylpropyl)butanamide
CID 62839621
4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide
CID 113234511
N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide
CID 106288862
N-(2,2-dimethylbutyl)-3-(ethylamino)butanamide
CID 103461491
3-(ethylamino)-N-(2-hydroxy-2-thiophen-3-ylethyl)butanamide
CID 106435427

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide?
The IUPAC name of 3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide (CID 114168522) is 3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide.
What is the SMILES notation for 3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide?
The canonical SMILES for 3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide is CCNC(C)CC(=O)NCC(O)C(CC)CC.
What is the InChIKey of 3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide?
The InChIKey is AJOUAMOONHAWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-5-11(6-2)12(16)9-15-13(17)8-10(4)14-7-3/h10-12,14,16H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide?
3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide has a molecular weight of 244.38 g/mol, XLogP of 1.29, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide is sourced from PubChem (CID 114168522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).