2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide

C18H38N4O — CID 167457610

IUPAC2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide
SMILESCCN(C)CCN(C)CC(=O)NCCCCCCN1CCCC1
InChIInChI=1S/C18H38N4O/c1-4-20(2)15-16-21(3)17-18(23)19-11-7-5-6-8-12-22-13-9-10-14-22/h4-17H2,1-3H3,(H,19,23)
InChIKeyLHPFYCOZLJAAHD-UHFFFAOYSA-N
MW326.53 g/mol
LogP1.64
Rot. Bonds13

About 2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide

2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide (PubChem CID 167457610) has the molecular formula C18H38N4O and a molecular weight of 326.53 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide
PubChem CID167457610
Molecular FormulaC18H38N4O
Molecular Weight326.53 g/mol
Exact Mass326.30
IUPAC Name2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide
SMILESCCN(C)CCN(C)CC(=O)NCCCCCCN1CCCC1
InChIInChI=1S/C18H38N4O/c1-4-20(2)15-16-21(3)17-18(23)19-11-7-5-6-8-12-22-13-9-10-14-22/h4-17H2,1-3H3,(H,19,23)
InChIKeyLHPFYCOZLJAAHD-UHFFFAOYSA-N
XLogP1.64
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[2-(hexadecylamino)-2-oxoethyl]-methylamino]ethyl-methylamino]acetic acid
CID 171721073
N'-ethyl-N'-methyl-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 62636776
N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 60668593
N-[5-(azepan-1-yl)pentyl]acetamide
CID 110441166
1-pentyl-3-(6-piperidin-1-ylhexyl)urea
CID 58599050
2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetohydrazide
CID 63573409
3-(azetidin-1-yl)-N-ethyl-N-methylpropan-1-amine
CID 139401057
1-octadecyl-3-(3-piperidin-1-ylpropyl)urea
CID 139652296
2-methoxy-N-(4-piperidin-1-ylbutyl)acetamide
CID 110443559
4-[[2-[methyl(2-piperazin-1-ylethyl)amino]acetyl]amino]butanoic acid
CID 63265218
2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]-N-propylacetamide
CID 78823735
N-dodecyl-2-pyrrolidin-1-ylacetamide
CID 11971610

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide?
The IUPAC name of 2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide (CID 167457610) is 2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide is CCN(C)CCN(C)CC(=O)NCCCCCCN1CCCC1.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide?
The InChIKey is LHPFYCOZLJAAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4O/c1-4-20(2)15-16-21(3)17-18(23)19-11-7-5-6-8-12-22-13-9-10-14-22/h4-17H2,1-3H3,(H,19,23).
What are the key properties of 2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide?
2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide has a molecular weight of 326.53 g/mol, XLogP of 1.64, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]ethyl-methylamino]-N-(6-pyrrolidin-1-ylhexyl)acetamide is sourced from PubChem (CID 167457610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).