N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide

C17H27NO5 — CID 102329033

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide
SMILESO=C(CCCCCOCc1ccccc1)NC(CO)(CO)CO
InChIInChI=1S/C17H27NO5/c19-12-17(13-20,14-21)18-16(22)9-5-2-6-10-23-11-15-7-3-1-4-8-15/h1,3-4,7-8,19-21H,2,5-6,9-14H2,(H,18,22)
InChIKeyBXRSARJXZDGLKR-UHFFFAOYSA-N
MW325.40 g/mol
LogP0.60
Rot. Bonds12

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide (PubChem CID 102329033) has the molecular formula C17H27NO5 and a molecular weight of 325.40 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide
PubChem CID102329033
Molecular FormulaC17H27NO5
Molecular Weight325.40 g/mol
Exact Mass325.19
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide
SMILESO=C(CCCCCOCc1ccccc1)NC(CO)(CO)CO
InChIInChI=1S/C17H27NO5/c19-12-17(13-20,14-21)18-16(22)9-5-2-6-10-23-11-15-7-3-1-4-8-15/h1,3-4,7-8,19-21H,2,5-6,9-14H2,(H,18,22)
InChIKeyBXRSARJXZDGLKR-UHFFFAOYSA-N
XLogP0.60
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 50.60
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

methyl 8-phenylmethoxyoctanoate
CID 562206
6-phenylmethoxy-N-[7-(6-phenylmethoxyhexanoylamino)-1,8-naphthyridin-2-yl]hexanamide
CID 11678584
(2Z)-2-ethylidene-6-phenylmethoxyhexanoic acid
CID 102373802
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
2-oxo-5-phenylmethoxypentanal
CID 166844444
acetic acid;5-phenylmethoxypentan-1-ol
CID 71441282
tert-butyl 10-phenylmethoxy-3-(7-phenylmethoxyheptyl)dec-2-enoate
CID 177188889
N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride
CID 119569536
2-(hydroxymethyl)-2-(4-phenylmethoxybutoxymethyl)propane-1,3-diol
CID 131987442
5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
N-(2-phenylmethoxyethyl)octadecanamide
CID 3875168
5-phenylmethoxy-N-(2,4,6-trimethylphenyl)pentanamide
CID 142735482

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide (CID 102329033) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide is O=C(CCCCCOCc1ccccc1)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide?
The InChIKey is BXRSARJXZDGLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO5/c19-12-17(13-20,14-21)18-16(22)9-5-2-6-10-23-11-15-7-3-1-4-8-15/h1,3-4,7-8,19-21H,2,5-6,9-14H2,(H,18,22).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide has a molecular weight of 325.40 g/mol, XLogP of 0.60, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-phenylmethoxyhexanamide is sourced from PubChem (CID 102329033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).