N-(2,3-dihydroxypropyl)-2-hexyl-3-oxodecanamide

C19H37NO4 — CID 11645877

IUPACN-(2,3-dihydroxypropyl)-2-hexyl-3-oxodecanamide
SMILESCCCCCCCC(=O)C(CCCCCC)C(=O)NCC(O)CO
InChIInChI=1S/C19H37NO4/c1-3-5-7-9-11-13-18(23)17(12-10-8-6-4-2)19(24)20-14-16(22)15-21/h16-17,21-22H,3-15H2,1-2H3,(H,20,24)
InChIKeyBJQISRPNMQCBEY-UHFFFAOYSA-N
MW343.51 g/mol
LogP2.97
Rot. Bonds16

About N-(2,3-dihydroxypropyl)-2-hexyl-3-oxodecanamide

N-(2,3-dihydroxypropyl)-2-hexyl-3-oxodecanamide (PubChem CID 11645877) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-hexyl-3-oxodecanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-hexyl-3-oxodecanamide
PubChem CID11645877
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC NameN-(2,3-dihydroxypropyl)-2-hexyl-3-oxodecanamide
SMILESCCCCCCCC(=O)C(CCCCCC)C(=O)NCC(O)CO
InChIInChI=1S/C19H37NO4/c1-3-5-7-9-11-13-18(23)17(12-10-8-6-4-2)19(24)20-14-16(22)15-21/h16-17,21-22H,3-15H2,1-2H3,(H,20,24)
InChIKeyBJQISRPNMQCBEY-UHFFFAOYSA-N
XLogP2.97
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hexadecyl-3-oxoicosanoyl)amino]acetic acid
CID 163282073
13-pentadecylheptacosane-12,14-dione
CID 141100144
3-oxo-2-tetradecylheptadecanoic acid
CID 54574565
(2S)-2-octyl-3-oxododecanoic acid
CID 154046678
2-octanoylhexadecanoic acid
CID 159011592
(2S)-2-amino-6-(2-octanoyldodecanoylamino)hexanoic acid
CID 146471914
17-butyltritriacontane-16,18-dione
CID 173360243
3-(2,3-dihydroxypropylamino)pentacosan-4-one
CID 87150229
(Z)-N-(2,3-dihydroxypropyl)docos-13-enamide
CID 53321377
7-(3-hydroxyprop-1-en-2-yl)pentadecan-8-one
CID 102498646
11-propylhenicosane-10,12-dione
CID 57313364
decane-1,2-diol;decanoic acid
CID 174865520

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-hexyl-3-oxodecanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-hexyl-3-oxodecanamide (CID 11645877) is N-(2,3-dihydroxypropyl)-2-hexyl-3-oxodecanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-hexyl-3-oxodecanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-hexyl-3-oxodecanamide is CCCCCCCC(=O)C(CCCCCC)C(=O)NCC(O)CO.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-hexyl-3-oxodecanamide?
The InChIKey is BJQISRPNMQCBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4/c1-3-5-7-9-11-13-18(23)17(12-10-8-6-4-2)19(24)20-14-16(22)15-21/h16-17,21-22H,3-15H2,1-2H3,(H,20,24).
What are the key properties of N-(2,3-dihydroxypropyl)-2-hexyl-3-oxodecanamide?
N-(2,3-dihydroxypropyl)-2-hexyl-3-oxodecanamide has a molecular weight of 343.51 g/mol, XLogP of 2.97, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-hexyl-3-oxodecanamide is sourced from PubChem (CID 11645877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).