(2R)-N-[2-(1,3-dioxolan-2-yl)-4-heptoxyphenyl]-3-(methoxymethoxy)-2-methylpropanamide

C22H35NO6 — CID 67422494

IUPAC(2R)-N-[2-(1,3-dioxolan-2-yl)-4-heptoxyphenyl]-3-(methoxymethoxy)-2-methylpropanamide
SMILESCCCCCCCOc1ccc(NC(=O)[C@H](C)COCOC)c(C2OCCO2)c1
InChIInChI=1S/C22H35NO6/c1-4-5-6-7-8-11-27-18-9-10-20(19(14-18)22-28-12-13-29-22)23-21(24)17(2)15-26-16-25-3/h9-10,14,17,22H,4-8,11-13,15-16H2,1-3H3,(H,23,24)/t17-/m1/s1
InChIKeyLTEKTOMCQQQBRC-QGZVFWFLSA-N
MW409.52 g/mol
LogP4.28
Rot. Bonds14

About (2R)-N-[2-(1,3-dioxolan-2-yl)-4-heptoxyphenyl]-3-(methoxymethoxy)-2-methylpropanamide

(2R)-N-[2-(1,3-dioxolan-2-yl)-4-heptoxyphenyl]-3-(methoxymethoxy)-2-methylpropanamide (PubChem CID 67422494) has the molecular formula C22H35NO6 and a molecular weight of 409.52 g/mol. Its IUPAC name is (2R)-N-[2-(1,3-dioxolan-2-yl)-4-heptoxyphenyl]-3-(methoxymethoxy)-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-(1,3-dioxolan-2-yl)-4-heptoxyphenyl]-3-(methoxymethoxy)-2-methylpropanamide
PubChem CID67422494
Molecular FormulaC22H35NO6
Molecular Weight409.52 g/mol
Exact Mass409.25
IUPAC Name(2R)-N-[2-(1,3-dioxolan-2-yl)-4-heptoxyphenyl]-3-(methoxymethoxy)-2-methylpropanamide
SMILESCCCCCCCOc1ccc(NC(=O)[C@H](C)COCOC)c(C2OCCO2)c1
InChIInChI=1S/C22H35NO6/c1-4-5-6-7-8-11-27-18-9-10-20(19(14-18)22-28-12-13-29-22)23-21(24)17(2)15-26-16-25-3/h9-10,14,17,22H,4-8,11-13,15-16H2,1-3H3,(H,23,24)/t17-/m1/s1
InChIKeyLTEKTOMCQQQBRC-QGZVFWFLSA-N
XLogP4.28
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(1,3-dioxolan-2-yl)-4-heptoxyphenyl]-3-(methoxymethoxy)-2-methylpropanamide?
The IUPAC name of (2R)-N-[2-(1,3-dioxolan-2-yl)-4-heptoxyphenyl]-3-(methoxymethoxy)-2-methylpropanamide (CID 67422494) is (2R)-N-[2-(1,3-dioxolan-2-yl)-4-heptoxyphenyl]-3-(methoxymethoxy)-2-methylpropanamide.
What is the SMILES notation for (2R)-N-[2-(1,3-dioxolan-2-yl)-4-heptoxyphenyl]-3-(methoxymethoxy)-2-methylpropanamide?
The canonical SMILES for (2R)-N-[2-(1,3-dioxolan-2-yl)-4-heptoxyphenyl]-3-(methoxymethoxy)-2-methylpropanamide is CCCCCCCOc1ccc(NC(=O)[C@H](C)COCOC)c(C2OCCO2)c1.
What is the InChIKey of (2R)-N-[2-(1,3-dioxolan-2-yl)-4-heptoxyphenyl]-3-(methoxymethoxy)-2-methylpropanamide?
The InChIKey is LTEKTOMCQQQBRC-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H35NO6/c1-4-5-6-7-8-11-27-18-9-10-20(19(14-18)22-28-12-13-29-22)23-21(24)17(2)15-26-16-25-3/h9-10,14,17,22H,4-8,11-13,15-16H2,1-3H3,(H,23,24)/t17-/m1/s1.
What are the key properties of (2R)-N-[2-(1,3-dioxolan-2-yl)-4-heptoxyphenyl]-3-(methoxymethoxy)-2-methylpropanamide?
(2R)-N-[2-(1,3-dioxolan-2-yl)-4-heptoxyphenyl]-3-(methoxymethoxy)-2-methylpropanamide has a molecular weight of 409.52 g/mol, XLogP of 4.28, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(1,3-dioxolan-2-yl)-4-heptoxyphenyl]-3-(methoxymethoxy)-2-methylpropanamide is sourced from PubChem (CID 67422494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).