N,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide

C22H45N5O3 — CID 129151974

IUPACN,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCCNC(=O)CN)CCCNC(=O)CN
InChIInChI=1S/C22H45N5O3/c1-2-3-4-5-6-7-8-9-10-13-22(30)27(16-11-14-25-20(28)18-23)17-12-15-26-21(29)19-24/h2-19,23-24H2,1H3,(H,25,28)(H,26,29)
InChIKeyFGLJLHPWFWGHNI-UHFFFAOYSA-N
MW427.63 g/mol
LogP1.67
Rot. Bonds20

About N,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide

N,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide (PubChem CID 129151974) has the molecular formula C22H45N5O3 and a molecular weight of 427.63 g/mol. Its IUPAC name is N,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide.

Molecular Properties

Compound NameN,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide
PubChem CID129151974
Molecular FormulaC22H45N5O3
Molecular Weight427.63 g/mol
Exact Mass427.35
IUPAC NameN,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCCNC(=O)CN)CCCNC(=O)CN
InChIInChI=1S/C22H45N5O3/c1-2-3-4-5-6-7-8-9-10-13-22(30)27(16-11-14-25-20(28)18-23)17-12-15-26-21(29)19-24/h2-19,23-24H2,1H3,(H,25,28)(H,26,29)
InChIKeyFGLJLHPWFWGHNI-UHFFFAOYSA-N
XLogP1.67
TPSA130.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.63
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N',N'-dioctadecyl-N-pentylhexanediamide
CID 174301276
N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide
CID 90402751
N-[2-[2-aminoethyl(dodecanoyl)amino]ethyl]dodecanamide
CID 13255836
N-[2-[2-aminoethyl(decanoyl)amino]ethyl]hexadecanamide
CID 102064097
N,N-bis(3-hydroxypropyl)icosanamide
CID 102118836
6-(octadecylcarbamoylamino)-N,N-dioctylhexanamide
CID 59961361
N-[2-[hexadecanoyl(3-hydroxypropyl)amino]ethyl]-N-(3-hydroxypropyl)hexadecanamide
CID 18787706
N-[2-[2-(2-aminoethylamino)ethyl-docosanoylamino]ethyl]docosanamide
CID 21492333
N,N-dioctyltetradecanamide
CID 169083302
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-di(nonyl)octanamide
CID 533141
N-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide
CID 59053098

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide?
The IUPAC name of N,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide (CID 129151974) is N,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide.
What is the SMILES notation for N,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide?
The canonical SMILES for N,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide is CCCCCCCCCCCC(=O)N(CCCNC(=O)CN)CCCNC(=O)CN.
What is the InChIKey of N,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide?
The InChIKey is FGLJLHPWFWGHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N5O3/c1-2-3-4-5-6-7-8-9-10-13-22(30)27(16-11-14-25-20(28)18-23)17-12-15-26-21(29)19-24/h2-19,23-24H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide?
N,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide has a molecular weight of 427.63 g/mol, XLogP of 1.67, 20 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-[(2-aminoacetyl)amino]propyl]dodecanamide is sourced from PubChem (CID 129151974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).