5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide

C16H26N2O3 — CID 82959703

IUPAC5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide
SMILESCCOCCN(CCOCC)C(=O)c1cc(N)ccc1C
InChIInChI=1S/C16H26N2O3/c1-4-20-10-8-18(9-11-21-5-2)16(19)15-12-14(17)7-6-13(15)3/h6-7,12H,4-5,8-11,17H2,1-3H3
InChIKeyHSIXMLZBDBLCNN-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.09
Rot. Bonds9

About 5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide

5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide (PubChem CID 82959703) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide
PubChem CID82959703
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide
SMILESCCOCCN(CCOCC)C(=O)c1cc(N)ccc1C
InChIInChI=1S/C16H26N2O3/c1-4-20-10-8-18(9-11-21-5-2)16(19)15-12-14(17)7-6-13(15)3/h6-7,12H,4-5,8-11,17H2,1-3H3
InChIKeyHSIXMLZBDBLCNN-UHFFFAOYSA-N
XLogP2.09
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864
5-amino-N-(2-ethoxyethyl)-2-methylbenzamide;hydrochloride
CID 120620370
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride
CID 120623191
5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 61291739
5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide
CID 61291356
ethyl 2-[(5-amino-2-methylbenzoyl)-methylamino]acetate
CID 54969504
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-methylbenzamide
CID 63690620
5-amino-N,N-bis(2-ethoxyethyl)pyridine-2-carboxamide
CID 82965848
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylbenzamide
CID 113467625
5-bromo-2-chloro-N,N-bis(2-ethoxyethyl)benzamide
CID 82960004
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzamide
CID 55228471
2-amino-5-chloro-N-(2-ethoxyethyl)-N-ethylbenzamide
CID 63696093

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide?
The IUPAC name of 5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide (CID 82959703) is 5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide.
What is the SMILES notation for 5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide?
The canonical SMILES for 5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide is CCOCCN(CCOCC)C(=O)c1cc(N)ccc1C.
What is the InChIKey of 5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide?
The InChIKey is HSIXMLZBDBLCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-20-10-8-18(9-11-21-5-2)16(19)15-12-14(17)7-6-13(15)3/h6-7,12H,4-5,8-11,17H2,1-3H3.
What are the key properties of 5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide?
5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide has a molecular weight of 294.40 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-bis(2-ethoxyethyl)-2-methylbenzamide is sourced from PubChem (CID 82959703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).