N-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide

C14H21NO5 — CID 3340367

IUPACN-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC(OC)OC)cc1OC
InChIInChI=1S/C14H21NO5/c1-15(9-13(19-4)20-5)14(16)10-6-7-11(17-2)12(8-10)18-3/h6-8,13H,9H2,1-5H3
InChIKeyQLMITCBOSQDICY-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.39
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide

N-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide (PubChem CID 3340367) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide
PubChem CID3340367
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC NameN-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC(OC)OC)cc1OC
InChIInChI=1S/C14H21NO5/c1-15(9-13(19-4)20-5)14(16)10-6-7-11(17-2)12(8-10)18-3/h6-8,13H,9H2,1-5H3
InChIKeyQLMITCBOSQDICY-UHFFFAOYSA-N
XLogP1.39
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethoxyethyl)-4-methoxy-N-methyl-3-nitrobenzamide
CID 3347194
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide
CID 107205814
4-(chloromethyl)-N-(2,2-dimethoxyethyl)-N-methylbenzamide
CID 169090050
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
N-[(4-chlorophenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 28632210
N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-methoxy-N,4-dimethylbenzamide
CID 54991962
2-[[3-(difluoromethoxy)-4-methoxybenzoyl]-methylamino]acetic acid
CID 119171808
methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate
CID 104782621
N-(2,2-dimethoxyethyl)-N-methyl-3,5-dinitrobenzamide
CID 3422148

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide (CID 3340367) is N-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CC(OC)OC)cc1OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide?
The InChIKey is QLMITCBOSQDICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-15(9-13(19-4)20-5)14(16)10-6-7-11(17-2)12(8-10)18-3/h6-8,13H,9H2,1-5H3.
What are the key properties of N-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide?
N-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide has a molecular weight of 283.32 g/mol, XLogP of 1.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3,4-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 3340367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).