N-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C16H32N2O2 — CID 106980166

IUPACN-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCCCCCN(CCO)C(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C16H32N2O2/c1-4-5-6-7-10-18(11-12-19)15(20)16(14(2)3)8-9-17-13-16/h14,17,19H,4-13H2,1-3H3
InChIKeyIVCOKAKQDQDTLB-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.02
Rot. Bonds9

About N-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106980166) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106980166
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCCCCCCN(CCO)C(=O)C1(C(C)C)CCNC1
InChIInChI=1S/C16H32N2O2/c1-4-5-6-7-10-18(11-12-19)15(20)16(14(2)3)8-9-17-13-16/h14,17,19H,4-13H2,1-3H3
InChIKeyIVCOKAKQDQDTLB-UHFFFAOYSA-N
XLogP2.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.02
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

N-(2-hydroxyethyl)-N-pentan-3-yl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980479
N-butyl-3-ethyl-N-(2-hydroxyethyl)pyrrolidine-3-carboxamide
CID 63143750
N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-3-carboxamide
CID 63131141
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980192
1-(aminomethyl)-N-hexyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 115435051
3-[propan-2-yl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 106980309
N-butyl-N-(2-hydroxyethyl)-3-propylpiperidine-3-carboxamide
CID 63131187
3-[tert-butyl-(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 106980310
4-ethyl-N-(2-hydroxyethyl)-N-propylpiperidine-4-carboxamide
CID 63128322
1-amino-N-heptyl-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 60953140
N-ethyl-N-(2-hydroxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 63143706
1-(aminomethyl)-N-heptyl-N-(3-hydroxypropyl)cyclopentane-1-carboxamide
CID 115435070

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106980166) is N-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CCCCCCN(CCO)C(=O)C1(C(C)C)CCNC1.
What is the InChIKey of N-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is IVCOKAKQDQDTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-4-5-6-7-10-18(11-12-19)15(20)16(14(2)3)8-9-17-13-16/h14,17,19H,4-13H2,1-3H3.
What are the key properties of N-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 284.44 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-(2-hydroxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106980166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).