N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide

C18H36N2O4 — CID 21340416

IUPACN,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide
SMILESCCCCCC(C)NC(=O)C(O)C(O)C(=O)NC(C)CCCCC
InChIInChI=1S/C18H36N2O4/c1-5-7-9-11-13(3)19-17(23)15(21)16(22)18(24)20-14(4)12-10-8-6-2/h13-16,21-22H,5-12H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyGQFNPRHBNHXIMS-UHFFFAOYSA-N
MW344.50 g/mol
LogP1.88
Rot. Bonds13

About N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide

N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide (PubChem CID 21340416) has the molecular formula C18H36N2O4 and a molecular weight of 344.50 g/mol. Its IUPAC name is N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide.

Molecular Properties

Compound NameN,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide
PubChem CID21340416
Molecular FormulaC18H36N2O4
Molecular Weight344.50 g/mol
Exact Mass344.27
IUPAC NameN,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide
SMILESCCCCCC(C)NC(=O)C(O)C(O)C(=O)NC(C)CCCCC
InChIInChI=1S/C18H36N2O4/c1-5-7-9-11-13(3)19-17(23)15(21)16(22)18(24)20-14(4)12-10-8-6-2/h13-16,21-22H,5-12H2,1-4H3,(H,19,23)(H,20,24)
InChIKeyGQFNPRHBNHXIMS-UHFFFAOYSA-N
XLogP1.88
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-octadecan-2-ylpentadecanamide
CID 139787818
(2R)-2-amino-N-heptan-2-ylpropanamide
CID 78972371
2-amino-N-octan-2-ylbutanamide
CID 43711439
N-dodecan-2-ylpropanamide
CID 174988669
(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
CID 61154397
(2S)-2-amino-N-heptan-2-yl-3-methylpentanamide
CID 61173881
2-(dimethylamino)-N-heptan-2-yl-3-methylbutanamide
CID 71878401
(2S)-2-(dimethylamino)-N-[(2R)-heptan-2-yl]-3-methylbutanamide
CID 97027520
(2S)-2-amino-N-heptan-2-yl-3,3-dimethylbutanamide
CID 61154567
(Z)-N,N'-di(heptan-2-yl)but-2-enediamide
CID 87996571
1-heptan-2-yl-3-propan-2-ylurea
CID 71899821
(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide
CID 61179526

Frequently Asked Questions

What is the IUPAC name of N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide?
The IUPAC name of N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide (CID 21340416) is N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide.
What is the SMILES notation for N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide?
The canonical SMILES for N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide is CCCCCC(C)NC(=O)C(O)C(O)C(=O)NC(C)CCCCC.
What is the InChIKey of N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide?
The InChIKey is GQFNPRHBNHXIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O4/c1-5-7-9-11-13(3)19-17(23)15(21)16(22)18(24)20-14(4)12-10-8-6-2/h13-16,21-22H,5-12H2,1-4H3,(H,19,23)(H,20,24).
What are the key properties of N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide?
N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide has a molecular weight of 344.50 g/mol, XLogP of 1.88, 13 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(heptan-2-yl)-2,3-dihydroxybutanediamide is sourced from PubChem (CID 21340416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).