(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone

C19H29NO7 — CID 4600615

IUPAC(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
SMILESCOc1ccc(C(=O)N2CCOCCOCCOCCOCC2)cc1OC
InChIInChI=1S/C19H29NO7/c1-22-17-4-3-16(15-18(17)23-2)19(21)20-5-7-24-9-11-26-13-14-27-12-10-25-8-6-20/h3-4,15H,5-14H2,1-2H3
InChIKeyWOHAZSNRGCAYCP-UHFFFAOYSA-N
MW383.44 g/mol
LogP1.23
Rot. Bonds3

About (3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone

(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone (PubChem CID 4600615) has the molecular formula C19H29NO7 and a molecular weight of 383.44 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
PubChem CID4600615
Molecular FormulaC19H29NO7
Molecular Weight383.44 g/mol
Exact Mass383.19
IUPAC Name(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
SMILESCOc1ccc(C(=O)N2CCOCCOCCOCCOCC2)cc1OC
InChIInChI=1S/C19H29NO7/c1-22-17-4-3-16(15-18(17)23-2)19(21)20-5-7-24-9-11-26-13-14-27-12-10-25-8-6-20/h3-4,15H,5-14H2,1-2H3
InChIKeyWOHAZSNRGCAYCP-UHFFFAOYSA-N
XLogP1.23
TPSA75.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide
CID 4850069
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-morpholin-4-ylmethanone
CID 43001761
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 39572485
(4-butan-2-yl-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 153363407
(4-aminophenyl)-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 108934968
[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 108533494
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
1,3-benzodioxol-5-yl-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543812
3,4-dimethoxy-N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 1289307

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone (CID 4600615) is (3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone is COc1ccc(C(=O)N2CCOCCOCCOCCOCC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone?
The InChIKey is WOHAZSNRGCAYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO7/c1-22-17-4-3-16(15-18(17)23-2)19(21)20-5-7-24-9-11-26-13-14-27-12-10-25-8-6-20/h3-4,15H,5-14H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone?
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone has a molecular weight of 383.44 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone is sourced from PubChem (CID 4600615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).