CID 168891729

C18H30B2N4O5 — CID 168891729

IUPAC—
SMILES[B]NC(=O)CN(CC(=O)N[B])C(=O)CCCCC(=O)NCCCCCC(=O)CC
InChIInChI=1S/C18H30B2N4O5/c1-2-14(25)8-4-3-7-11-21-15(26)9-5-6-10-18(29)24(12-16(27)22-19)13-17(28)23-20/h2-13H2,1H3,(H,21,26)(H,22,27)(H,23,28)
InChIKeyRZPSOKPFPPFKAZ-UHFFFAOYSA-N
MW404.09 g/mol
LogP-0.57
Rot. Bonds16

About CID 168891729

CID 168891729 (PubChem CID 168891729) has the molecular formula C18H30B2N4O5 and a molecular weight of 404.09 g/mol.

Molecular Properties

Compound NameCID 168891729
PubChem CID168891729
Molecular FormulaC18H30B2N4O5
Molecular Weight404.09 g/mol
Exact Mass404.24
IUPAC Name—
SMILES[B]NC(=O)CN(CC(=O)N[B])C(=O)CCCCC(=O)NCCCCCC(=O)CC
InChIInChI=1S/C18H30B2N4O5/c1-2-14(25)8-4-3-7-11-21-15(26)9-5-6-10-18(29)24(12-16(27)22-19)13-17(28)23-20/h2-13H2,1H3,(H,21,26)(H,22,27)(H,23,28)
InChIKeyRZPSOKPFPPFKAZ-UHFFFAOYSA-N
XLogP-0.57
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.09
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,9-dioxoundecyl)-N'-methyl-N-[2-[[6-(methylamino)-6-oxohexyl]amino]-2-oxoethyl]-4-oxononanediamide;N-[2-(methylamino)-2-oxoethyl]-N-(2-oxobutyl)butanamide;N'-methyl-N-[2-(methylamino)-2-oxoethyl]-4-oxo-N-(2-oxobutyl)nonanediamide
CID 161119382
N-(4-oxohexyl)octadecanamide
CID 90448629
N-(4-oxohexyl)pentadecanamide
CID 170421941
8-oxo-N-propyldecanamide
CID 156819961
CID 174074733
CID 174074733
N',N'-dioctadecyl-N-pentylhexanediamide
CID 174301276
2-ethoxy-N-(8-oxodecyl)acetamide;molecular hydrogen
CID 171554520
N-(8-oxotridecyl)hexanamide
CID 148531467
N-(6-oxooctyl)-4-propoxybutanamide
CID 170362710
CID 168891726
CID 168891726
N-hexadecyl-4-oxohexanamide
CID 59141452
N-[2-(dodecylamino)-2-oxoethyl]-N-(2-hydroxyethyl)dodecanamide
CID 59053098

Frequently Asked Questions

What is the IUPAC name of CID 168891729?
The IUPAC name of CID 168891729 (CID 168891729) is not available.
What is the SMILES notation for CID 168891729?
The canonical SMILES for CID 168891729 is [B]NC(=O)CN(CC(=O)N[B])C(=O)CCCCC(=O)NCCCCCC(=O)CC.
What is the InChIKey of CID 168891729?
The InChIKey is RZPSOKPFPPFKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30B2N4O5/c1-2-14(25)8-4-3-7-11-21-15(26)9-5-6-10-18(29)24(12-16(27)22-19)13-17(28)23-20/h2-13H2,1H3,(H,21,26)(H,22,27)(H,23,28).
What are the key properties of CID 168891729?
CID 168891729 has a molecular weight of 404.09 g/mol, XLogP of -0.57, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168891729 is sourced from PubChem (CID 168891729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).