N-[2-[ethyl-[2-(2-hydroxydodecanoylamino)ethyl]amino]ethyl]-2-hydroxydodecanamide

C30H61N3O4 — CID 146654101

IUPACN-[2-[ethyl-[2-(2-hydroxydodecanoylamino)ethyl]amino]ethyl]-2-hydroxydodecanamide
SMILESCCCCCCCCCCC(O)C(=O)NCCN(CC)CCNC(=O)C(O)CCCCCCCCCC
InChIInChI=1S/C30H61N3O4/c1-4-7-9-11-13-15-17-19-21-27(34)29(36)31-23-25-33(6-3)26-24-32-30(37)28(35)22-20-18-16-14-12-10-8-5-2/h27-28,34-35H,4-26H2,1-3H3,(H,31,36)(H,32,37)
InChIKeyTWKRSAJHZCXFBY-UHFFFAOYSA-N
MW527.84 g/mol
LogP5.32
Rot. Bonds27

About N-[2-[ethyl-[2-(2-hydroxydodecanoylamino)ethyl]amino]ethyl]-2-hydroxydodecanamide

N-[2-[ethyl-[2-(2-hydroxydodecanoylamino)ethyl]amino]ethyl]-2-hydroxydodecanamide (PubChem CID 146654101) has the molecular formula C30H61N3O4 and a molecular weight of 527.84 g/mol. Its IUPAC name is N-[2-[ethyl-[2-(2-hydroxydodecanoylamino)ethyl]amino]ethyl]-2-hydroxydodecanamide.

Molecular Properties

Compound NameN-[2-[ethyl-[2-(2-hydroxydodecanoylamino)ethyl]amino]ethyl]-2-hydroxydodecanamide
PubChem CID146654101
Molecular FormulaC30H61N3O4
Molecular Weight527.84 g/mol
Exact Mass527.47
IUPAC NameN-[2-[ethyl-[2-(2-hydroxydodecanoylamino)ethyl]amino]ethyl]-2-hydroxydodecanamide
SMILESCCCCCCCCCCC(O)C(=O)NCCN(CC)CCNC(=O)C(O)CCCCCCCCCC
InChIInChI=1S/C30H61N3O4/c1-4-7-9-11-13-15-17-19-21-27(34)29(36)31-23-25-33(6-3)26-24-32-30(37)28(35)22-20-18-16-14-12-10-8-5-2/h27-28,34-35H,4-26H2,1-3H3,(H,31,36)(H,32,37)
InChIKeyTWKRSAJHZCXFBY-UHFFFAOYSA-N
XLogP5.32
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds27
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.84
LogP ≤ 55.32
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

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CID 173109988
methyl 4-[[(2R)-2-hydroxyoctanoyl]amino]butanoate
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N-ethyl-2-hydroxyoctadec-9-enamide
CID 54116663
2-amino-N-[2-[2-(2-aminododecanoylamino)ethyl-(2-aminoethyl)amino]ethyl]dodecanamide
CID 146653798
2-hydroxy-N-octadecan-2-ylpentadecanamide
CID 139787818
N-[2-[ethyl(propyl)amino]ethyl]-2,2-difluoroacetamide
CID 107168084
2-hydroxy-N-(2-hydroxyacetyl)icosanamide
CID 141107513
1-N,4-N-bis[2-[ethyl(hexadecyl)amino]ethyl]benzene-1,4-dicarboxamide
CID 139952705
N,N-didodecyl-2-hydroxyoctadecanamide
CID 175541857
2,3-dihydroxy-N-tetradecylpropanamide
CID 172845175
1-[2-[bis[2-(octylcarbamoylamino)ethyl]amino]ethyl]-3-octylurea
CID 10555741
(9R)-9-hydroxyhexadecan-8-one
CID 97045448

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl-[2-(2-hydroxydodecanoylamino)ethyl]amino]ethyl]-2-hydroxydodecanamide?
The IUPAC name of N-[2-[ethyl-[2-(2-hydroxydodecanoylamino)ethyl]amino]ethyl]-2-hydroxydodecanamide (CID 146654101) is N-[2-[ethyl-[2-(2-hydroxydodecanoylamino)ethyl]amino]ethyl]-2-hydroxydodecanamide.
What is the SMILES notation for N-[2-[ethyl-[2-(2-hydroxydodecanoylamino)ethyl]amino]ethyl]-2-hydroxydodecanamide?
The canonical SMILES for N-[2-[ethyl-[2-(2-hydroxydodecanoylamino)ethyl]amino]ethyl]-2-hydroxydodecanamide is CCCCCCCCCCC(O)C(=O)NCCN(CC)CCNC(=O)C(O)CCCCCCCCCC.
What is the InChIKey of N-[2-[ethyl-[2-(2-hydroxydodecanoylamino)ethyl]amino]ethyl]-2-hydroxydodecanamide?
The InChIKey is TWKRSAJHZCXFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61N3O4/c1-4-7-9-11-13-15-17-19-21-27(34)29(36)31-23-25-33(6-3)26-24-32-30(37)28(35)22-20-18-16-14-12-10-8-5-2/h27-28,34-35H,4-26H2,1-3H3,(H,31,36)(H,32,37).
What are the key properties of N-[2-[ethyl-[2-(2-hydroxydodecanoylamino)ethyl]amino]ethyl]-2-hydroxydodecanamide?
N-[2-[ethyl-[2-(2-hydroxydodecanoylamino)ethyl]amino]ethyl]-2-hydroxydodecanamide has a molecular weight of 527.84 g/mol, XLogP of 5.32, 27 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl-[2-(2-hydroxydodecanoylamino)ethyl]amino]ethyl]-2-hydroxydodecanamide is sourced from PubChem (CID 146654101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).