3-[5-(11-aminoundecoxy)pentoxy]-N-(2-methylbut-3-en-2-yl)propanamide

C24H48N2O3 — CID 134421875

IUPAC3-[5-(11-aminoundecoxy)pentoxy]-N-(2-methylbut-3-en-2-yl)propanamide
SMILESC=CC(C)(C)NC(=O)CCOCCCCCOCCCCCCCCCCCN
InChIInChI=1S/C24H48N2O3/c1-4-24(2,3)26-23(27)17-22-29-21-16-12-15-20-28-19-14-11-9-7-5-6-8-10-13-18-25/h4H,1,5-22,25H2,2-3H3,(H,26,27)
InChIKeyANMHOICNWYLUSI-UHFFFAOYSA-N
MW412.66 g/mol
LogP5.13
Rot. Bonds22

About 3-[5-(11-aminoundecoxy)pentoxy]-N-(2-methylbut-3-en-2-yl)propanamide

3-[5-(11-aminoundecoxy)pentoxy]-N-(2-methylbut-3-en-2-yl)propanamide (PubChem CID 134421875) has the molecular formula C24H48N2O3 and a molecular weight of 412.66 g/mol. Its IUPAC name is 3-[5-(11-aminoundecoxy)pentoxy]-N-(2-methylbut-3-en-2-yl)propanamide.

Molecular Properties

Compound Name3-[5-(11-aminoundecoxy)pentoxy]-N-(2-methylbut-3-en-2-yl)propanamide
PubChem CID134421875
Molecular FormulaC24H48N2O3
Molecular Weight412.66 g/mol
Exact Mass412.37
IUPAC Name3-[5-(11-aminoundecoxy)pentoxy]-N-(2-methylbut-3-en-2-yl)propanamide
SMILESC=CC(C)(C)NC(=O)CCOCCCCCOCCCCCCCCCCCN
InChIInChI=1S/C24H48N2O3/c1-4-24(2,3)26-23(27)17-22-29-21-16-12-15-20-28-19-14-11-9-7-5-6-8-10-13-18-25/h4H,1,5-22,25H2,2-3H3,(H,26,27)
InChIKeyANMHOICNWYLUSI-UHFFFAOYSA-N
XLogP5.13
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.66
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-7-prop-2-enoxyheptanamide
CID 59532861
6-amino-N-[1,3-bis(3-amino-3-oxopropoxy)-2-[(3-amino-3-oxopropoxy)methyl]propan-2-yl]hexanamide
CID 177015473
7-(6-aminohexoxy)heptan-2-one
CID 146201806
3-(3-aminopropoxy)-N-ethylpropanamide
CID 62344045
7-amino-N-(1-hydroxy-2-methylpropan-2-yl)heptanamide
CID 43500036
N-tert-butyl-3-prop-2-enoxypropanamide
CID 59532832
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
6-amino-N-[2-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butan-2-yl]hexanamide
CID 167239667
N-[1,3-bis[3-(3-aminopropylamino)-3-oxopropoxy]-2-[[3-(3-aminopropylamino)-3-oxopropoxy]methyl]propan-2-yl]-N'-hydroxydodecanediamide
CID 170005572
5-[2-[2-[2-(5-aminopentoxy)ethoxy]ethoxy]ethoxy]pentanoic acid
CID 137483570
7-amino-N-(2-but-3-enoxyethyl)heptanamide
CID 114183717
[5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite
CID 146357651

Frequently Asked Questions

What is the IUPAC name of 3-[5-(11-aminoundecoxy)pentoxy]-N-(2-methylbut-3-en-2-yl)propanamide?
The IUPAC name of 3-[5-(11-aminoundecoxy)pentoxy]-N-(2-methylbut-3-en-2-yl)propanamide (CID 134421875) is 3-[5-(11-aminoundecoxy)pentoxy]-N-(2-methylbut-3-en-2-yl)propanamide.
What is the SMILES notation for 3-[5-(11-aminoundecoxy)pentoxy]-N-(2-methylbut-3-en-2-yl)propanamide?
The canonical SMILES for 3-[5-(11-aminoundecoxy)pentoxy]-N-(2-methylbut-3-en-2-yl)propanamide is C=CC(C)(C)NC(=O)CCOCCCCCOCCCCCCCCCCCN.
What is the InChIKey of 3-[5-(11-aminoundecoxy)pentoxy]-N-(2-methylbut-3-en-2-yl)propanamide?
The InChIKey is ANMHOICNWYLUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O3/c1-4-24(2,3)26-23(27)17-22-29-21-16-12-15-20-28-19-14-11-9-7-5-6-8-10-13-18-25/h4H,1,5-22,25H2,2-3H3,(H,26,27).
What are the key properties of 3-[5-(11-aminoundecoxy)pentoxy]-N-(2-methylbut-3-en-2-yl)propanamide?
3-[5-(11-aminoundecoxy)pentoxy]-N-(2-methylbut-3-en-2-yl)propanamide has a molecular weight of 412.66 g/mol, XLogP of 5.13, 22 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(11-aminoundecoxy)pentoxy]-N-(2-methylbut-3-en-2-yl)propanamide is sourced from PubChem (CID 134421875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).