3-(ethylamino)-N-hexyl-N-(2-hydroxyethyl)-2-methylpropanamide

C14H30N2O2 — CID 62852561

IUPAC3-(ethylamino)-N-hexyl-N-(2-hydroxyethyl)-2-methylpropanamide
SMILESCCCCCCN(CCO)C(=O)C(C)CNCC
InChIInChI=1S/C14H30N2O2/c1-4-6-7-8-9-16(10-11-17)14(18)13(3)12-15-5-2/h13,15,17H,4-12H2,1-3H3
InChIKeyFTRVHDHSFYDAOU-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.63
Rot. Bonds11

About 3-(ethylamino)-N-hexyl-N-(2-hydroxyethyl)-2-methylpropanamide

3-(ethylamino)-N-hexyl-N-(2-hydroxyethyl)-2-methylpropanamide (PubChem CID 62852561) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-(ethylamino)-N-hexyl-N-(2-hydroxyethyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-hexyl-N-(2-hydroxyethyl)-2-methylpropanamide
PubChem CID62852561
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name3-(ethylamino)-N-hexyl-N-(2-hydroxyethyl)-2-methylpropanamide
SMILESCCCCCCN(CCO)C(=O)C(C)CNCC
InChIInChI=1S/C14H30N2O2/c1-4-6-7-8-9-16(10-11-17)14(18)13(3)12-15-5-2/h13,15,17H,4-12H2,1-3H3
InChIKeyFTRVHDHSFYDAOU-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-heptyl-N-(3-hydroxypropyl)-2-methylpropanamide
CID 55111093
1-hexadecyl-1-(2-hydroxyethyl)-3-methylurea
CID 88673985
5-amino-N,N-dihexyl-2-methylpentanamide
CID 104684478
2-amino-N,N-dihexylpropanamide
CID 54872127
N,N-dibutyl-3-chloro-2-methylpropanamide
CID 62728082
2-chloro-N,N-dihexylpropanamide
CID 533081
3-[hexyl(2-hydroxyethyl)amino]-3-oxopropanoic acid
CID 62230259
4-amino-2-methyl-N,N-dipentylbutanamide
CID 80542996
3-amino-N-hexyl-N-(2-hydroxyethyl)butanamide
CID 60963416
N-butyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513897
3-(ethylamino)-2-methyl-N,N-bis(prop-2-enyl)propanamide
CID 62853954
3-hexadecyl-1-(2-hydroxyethyl)-1-octadecylurea
CID 88673978

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-hexyl-N-(2-hydroxyethyl)-2-methylpropanamide?
The IUPAC name of 3-(ethylamino)-N-hexyl-N-(2-hydroxyethyl)-2-methylpropanamide (CID 62852561) is 3-(ethylamino)-N-hexyl-N-(2-hydroxyethyl)-2-methylpropanamide.
What is the SMILES notation for 3-(ethylamino)-N-hexyl-N-(2-hydroxyethyl)-2-methylpropanamide?
The canonical SMILES for 3-(ethylamino)-N-hexyl-N-(2-hydroxyethyl)-2-methylpropanamide is CCCCCCN(CCO)C(=O)C(C)CNCC.
What is the InChIKey of 3-(ethylamino)-N-hexyl-N-(2-hydroxyethyl)-2-methylpropanamide?
The InChIKey is FTRVHDHSFYDAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-4-6-7-8-9-16(10-11-17)14(18)13(3)12-15-5-2/h13,15,17H,4-12H2,1-3H3.
What are the key properties of 3-(ethylamino)-N-hexyl-N-(2-hydroxyethyl)-2-methylpropanamide?
3-(ethylamino)-N-hexyl-N-(2-hydroxyethyl)-2-methylpropanamide has a molecular weight of 258.41 g/mol, XLogP of 1.63, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-hexyl-N-(2-hydroxyethyl)-2-methylpropanamide is sourced from PubChem (CID 62852561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).