N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-7-phenylheptanamide

C20H31NO5 — CID 155119108

IUPACN-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-7-phenylheptanamide
SMILESCC1OC(CO)C(O)C(O)C1NC(=O)CCCCCCc1ccccc1
InChIInChI=1S/C20H31NO5/c1-14-18(20(25)19(24)16(13-22)26-14)21-17(23)12-8-3-2-5-9-15-10-6-4-7-11-15/h4,6-7,10-11,14,16,18-20,22,24-25H,2-3,5,8-9,12-13H2,1H3,(H,21,23)
InChIKeyBPYDUMVPXYYXGF-UHFFFAOYSA-N
MW365.47 g/mol
LogP1.17
Rot. Bonds9

About N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-7-phenylheptanamide

N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-7-phenylheptanamide (PubChem CID 155119108) has the molecular formula C20H31NO5 and a molecular weight of 365.47 g/mol. Its IUPAC name is N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-7-phenylheptanamide.

Molecular Properties

Compound NameN-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-7-phenylheptanamide
PubChem CID155119108
Molecular FormulaC20H31NO5
Molecular Weight365.47 g/mol
Exact Mass365.22
IUPAC NameN-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-7-phenylheptanamide
SMILESCC1OC(CO)C(O)C(O)C1NC(=O)CCCCCCc1ccccc1
InChIInChI=1S/C20H31NO5/c1-14-18(20(25)19(24)16(13-22)26-14)21-17(23)12-8-3-2-5-9-15-10-6-4-7-11-15/h4,6-7,10-11,14,16,18-20,22,24-25H,2-3,5,8-9,12-13H2,1H3,(H,21,23)
InChIKeyBPYDUMVPXYYXGF-UHFFFAOYSA-N
XLogP1.17
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 51.17
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

N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenylmethoxyoxan-3-yl]hexadecanamide
CID 70480518
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide
CID 76510956
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide
CID 57326091
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(5-phenylpentoxy)oxan-3-yl]acetamide
CID 102065434
[4-oxo-4-[[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]amino]butyl]-triphenylphosphanium
CID 101349422
N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]hexadecanamide
CID 101090548
N-[(4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 70930767
N-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 177167947
N-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 58911480
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-(methylamino)benzamide
CID 134460654
6-phenyl-N-piperidin-4-ylhexanamide
CID 154665785
actinium;(2R)-6-chloro-2-(hydroxymethyl)-5-(3-phenylpropylamino)oxane-3,4-diol
CID 59974131

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-7-phenylheptanamide?
The IUPAC name of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-7-phenylheptanamide (CID 155119108) is N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-7-phenylheptanamide.
What is the SMILES notation for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-7-phenylheptanamide?
The canonical SMILES for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-7-phenylheptanamide is CC1OC(CO)C(O)C(O)C1NC(=O)CCCCCCc1ccccc1.
What is the InChIKey of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-7-phenylheptanamide?
The InChIKey is BPYDUMVPXYYXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO5/c1-14-18(20(25)19(24)16(13-22)26-14)21-17(23)12-8-3-2-5-9-15-10-6-4-7-11-15/h4,6-7,10-11,14,16,18-20,22,24-25H,2-3,5,8-9,12-13H2,1H3,(H,21,23).
What are the key properties of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-7-phenylheptanamide?
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-7-phenylheptanamide has a molecular weight of 365.47 g/mol, XLogP of 1.17, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-7-phenylheptanamide is sourced from PubChem (CID 155119108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).