2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide

C15H22N2O4 — CID 103338349

IUPAC2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCOC)C(=O)c1cc(OC)cc(OC)c1N
InChIInChI=1S/C15H22N2O4/c1-5-6-17(7-8-19-2)15(18)12-9-11(20-3)10-13(21-4)14(12)16/h5,9-10H,1,6-8,16H2,2-4H3
InChIKeyWHNASZJNVQKFBQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.56
Rot. Bonds8

About 2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide

2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide (PubChem CID 103338349) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
PubChem CID103338349
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
SMILESC=CCN(CCOC)C(=O)c1cc(OC)cc(OC)c1N
InChIInChI=1S/C15H22N2O4/c1-5-6-17(7-8-19-2)15(18)12-9-11(20-3)10-13(21-4)14(12)16/h5,9-10H,1,6-8,16H2,2-4H3
InChIKeyWHNASZJNVQKFBQ-UHFFFAOYSA-N
XLogP1.56
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339084
2-amino-3,5-dimethoxy-N,N-dipropylbenzamide
CID 115950412
2-amino-N-ethyl-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 112606111
2-amino-N-(2-hydroxyethyl)-3,5-dimethoxy-N-propylbenzamide
CID 115950552
2-amino-4,5-dimethoxy-N,N-bis(prop-2-enyl)benzamide
CID 61118260
3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339075
2-amino-N-ethyl-3,5-dimethoxybenzamide
CID 112606069
3-amino-N-(2-methoxyethyl)-5-methylsulfonyl-N-prop-2-enylbenzamide
CID 103338340
2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide
CID 112606101
2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
CID 112606170
5-bromo-2-iodo-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103528752
3-amino-N-(2-methoxyethyl)-5-methyl-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 107932610

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide?
The IUPAC name of 2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide (CID 103338349) is 2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide?
The canonical SMILES for 2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide is C=CCN(CCOC)C(=O)c1cc(OC)cc(OC)c1N.
What is the InChIKey of 2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide?
The InChIKey is WHNASZJNVQKFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-6-17(7-8-19-2)15(18)12-9-11(20-3)10-13(21-4)14(12)16/h5,9-10H,1,6-8,16H2,2-4H3.
What are the key properties of 2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide?
2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide has a molecular weight of 294.35 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dimethoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 103338349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).