N-[(5R)-5-methyl-6-oxoheptyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide

C19H37NO8 — CID 118351233

IUPACN-[(5R)-5-methyl-6-oxoheptyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide
SMILESCC(=O)[C@H](C)CCCCNC(=O)CCCCOC(O)C(O)C(O)C(O)CCO
InChIInChI=1S/C19H37NO8/c1-13(14(2)22)7-3-5-10-20-16(24)8-4-6-12-28-19(27)18(26)17(25)15(23)9-11-21/h13,15,17-19,21,23,25-27H,3-12H2,1-2H3,(H,20,24)/t13-,15?,17?,18?,19?/m1/s1
InChIKeyOOWICLKMUXOYNO-FEISOSAJSA-N
MW407.50 g/mol
LogP-0.53
Rot. Bonds17

About N-[(5R)-5-methyl-6-oxoheptyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide

N-[(5R)-5-methyl-6-oxoheptyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide (PubChem CID 118351233) has the molecular formula C19H37NO8 and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[(5R)-5-methyl-6-oxoheptyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide.

Molecular Properties

Compound NameN-[(5R)-5-methyl-6-oxoheptyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide
PubChem CID118351233
Molecular FormulaC19H37NO8
Molecular Weight407.50 g/mol
Exact Mass407.25
IUPAC NameN-[(5R)-5-methyl-6-oxoheptyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide
SMILESCC(=O)[C@H](C)CCCCNC(=O)CCCCOC(O)C(O)C(O)C(O)CCO
InChIInChI=1S/C19H37NO8/c1-13(14(2)22)7-3-5-10-20-16(24)8-4-6-12-28-19(27)18(26)17(25)15(23)9-11-21/h13,15,17-19,21,23,25-27H,3-12H2,1-2H3,(H,20,24)/t13-,15?,17?,18?,19?/m1/s1
InChIKeyOOWICLKMUXOYNO-FEISOSAJSA-N
XLogP-0.53
TPSA156.55 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.50
LogP ≤ 5-0.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(5R)-5-methyl-6-oxoheptyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5R)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-(1,2,4,6-tetrahydroxy-3-methylhexoxy)pentanamide
CID 146352037
N-[(5R)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5S)-6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[(5R)-6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide;N-[6-oxo-5-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]heptyl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
CID 165065494
N-[(5R)-13-[(2S,4R)-2-(hydroxymethyl)-4-methylpyrrolidin-1-yl]-6,13-dioxo-5-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]tridecyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide
CID 165007346
N-[6-oxo-5-[5-[(E)-1,2,3,4,6-pentahydroxyhex-2-enoxy]pentanoylamino]hexyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide
CID 175634620
16-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(5S)-5-methyl-6-oxoheptyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-16-oxohexadecanoic acid
CID 118070991
N-(5-methyl-6-oxoheptyl)propanamide
CID 76588295
N-[5-(hydroxymethylamino)-6-oxoheptyl]-3-methoxypropanamide
CID 163428248
(2S)-N-[6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-6-oxohexyl]-6-[5-(1,2,3,4,6-pentahydroxyhexoxy)pentanoylamino]-2-[5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoylamino]hexanamide;yttrium
CID 165022813
18-[[(1S)-1-carboxy-4-[[(5S)-5-methyl-6-[[(5S)-5-methyl-6-oxoheptyl]amino]-6-oxohexyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 118071019
18-[[(1S)-1-carboxy-4-[2-[2-[2-[[(5S)-5-methyl-6-oxoheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 118011466
8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-5-methyl-6-oxoheptyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide?
The IUPAC name of N-[(5R)-5-methyl-6-oxoheptyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide (CID 118351233) is N-[(5R)-5-methyl-6-oxoheptyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide.
What is the SMILES notation for N-[(5R)-5-methyl-6-oxoheptyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide?
The canonical SMILES for N-[(5R)-5-methyl-6-oxoheptyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide is CC(=O)[C@H](C)CCCCNC(=O)CCCCOC(O)C(O)C(O)C(O)CCO.
What is the InChIKey of N-[(5R)-5-methyl-6-oxoheptyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide?
The InChIKey is OOWICLKMUXOYNO-FEISOSAJSA-N. The full InChI is InChI=1S/C19H37NO8/c1-13(14(2)22)7-3-5-10-20-16(24)8-4-6-12-28-19(27)18(26)17(25)15(23)9-11-21/h13,15,17-19,21,23,25-27H,3-12H2,1-2H3,(H,20,24)/t13-,15?,17?,18?,19?/m1/s1.
What are the key properties of N-[(5R)-5-methyl-6-oxoheptyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide?
N-[(5R)-5-methyl-6-oxoheptyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide has a molecular weight of 407.50 g/mol, XLogP of -0.53, 17 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-5-methyl-6-oxoheptyl]-5-(1,2,3,4,6-pentahydroxyhexoxy)pentanamide is sourced from PubChem (CID 118351233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).