N-[(2S)-2-hydroxypropyl]-3-[3-[(2S)-oxan-2-yl]oxypropoxy]benzamide

C18H27NO5 — CID 100761485

IUPACN-[(2S)-2-hydroxypropyl]-3-[3-[(2S)-oxan-2-yl]oxypropoxy]benzamide
SMILESC[C@H](O)CNC(=O)c1cccc(OCCCO[C@H]2CCCCO2)c1
InChIInChI=1S/C18H27NO5/c1-14(20)13-19-18(21)15-6-4-7-16(12-15)22-10-5-11-24-17-8-2-3-9-23-17/h4,6-7,12,14,17,20H,2-3,5,8-11,13H2,1H3,(H,19,21)/t14-,17-/m0/s1
InChIKeyGNTXMGHTLFVNJE-YOEHRIQHSA-N
MW337.42 g/mol
LogP2.11
Rot. Bonds9

About N-[(2S)-2-hydroxypropyl]-3-[3-[(2S)-oxan-2-yl]oxypropoxy]benzamide

N-[(2S)-2-hydroxypropyl]-3-[3-[(2S)-oxan-2-yl]oxypropoxy]benzamide (PubChem CID 100761485) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]-3-[3-[(2S)-oxan-2-yl]oxypropoxy]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]-3-[3-[(2S)-oxan-2-yl]oxypropoxy]benzamide
PubChem CID100761485
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC NameN-[(2S)-2-hydroxypropyl]-3-[3-[(2S)-oxan-2-yl]oxypropoxy]benzamide
SMILESC[C@H](O)CNC(=O)c1cccc(OCCCO[C@H]2CCCCO2)c1
InChIInChI=1S/C18H27NO5/c1-14(20)13-19-18(21)15-6-4-7-16(12-15)22-10-5-11-24-17-8-2-3-9-23-17/h4,6-7,12,14,17,20H,2-3,5,8-11,13H2,1H3,(H,19,21)/t14-,17-/m0/s1
InChIKeyGNTXMGHTLFVNJE-YOEHRIQHSA-N
XLogP2.11
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5-hydroxypentoxy)-N-[(2S)-2-hydroxypropyl]benzamide
CID 97221199
3-methoxy-N-[2-[(2S)-oxan-2-yl]oxyethyl]benzamide
CID 125419741
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
methyl 3,5-bis[3-[[3,5-bis[3-(oxan-2-yloxy)propoxy]benzoyl]amino]propoxy]benzoate
CID 10677722
2-[4-(3-bromophenoxy)butoxy]oxane
CID 59476029
methyl 4-[12-(oxan-2-yloxy)dodecoxy]benzoate
CID 67066837
N-(2-hydroxypropyl)-3-[(2-methylphenyl)methoxy]benzamide
CID 111432837
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
N-[[(2R,3S)-2-propan-2-yloxan-3-yl]methyl]-3-propoxybenzamide
CID 95973529
methyl 2-[3-[5-(oxan-2-yloxy)pentoxy]phenyl]-1,3-thiazole-4-carboxylate
CID 66816405
methyl 6-[3-[6-(oxan-2-yloxy)hexoxy]phenyl]pyridine-2-carboxylate
CID 66815652

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]-3-[3-[(2S)-oxan-2-yl]oxypropoxy]benzamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]-3-[3-[(2S)-oxan-2-yl]oxypropoxy]benzamide (CID 100761485) is N-[(2S)-2-hydroxypropyl]-3-[3-[(2S)-oxan-2-yl]oxypropoxy]benzamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]-3-[3-[(2S)-oxan-2-yl]oxypropoxy]benzamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]-3-[3-[(2S)-oxan-2-yl]oxypropoxy]benzamide is C[C@H](O)CNC(=O)c1cccc(OCCCO[C@H]2CCCCO2)c1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]-3-[3-[(2S)-oxan-2-yl]oxypropoxy]benzamide?
The InChIKey is GNTXMGHTLFVNJE-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H27NO5/c1-14(20)13-19-18(21)15-6-4-7-16(12-15)22-10-5-11-24-17-8-2-3-9-23-17/h4,6-7,12,14,17,20H,2-3,5,8-11,13H2,1H3,(H,19,21)/t14-,17-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]-3-[3-[(2S)-oxan-2-yl]oxypropoxy]benzamide?
N-[(2S)-2-hydroxypropyl]-3-[3-[(2S)-oxan-2-yl]oxypropoxy]benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]-3-[3-[(2S)-oxan-2-yl]oxypropoxy]benzamide is sourced from PubChem (CID 100761485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).