5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide

C21H29N3O2 — CID 120642057

IUPAC5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)c2cc(N)ccc2C)cc1
InChIInChI=1S/C21H29N3O2/c1-4-24(5-2)12-13-26-19-10-7-17(8-11-19)15-23-21(25)20-14-18(22)9-6-16(20)3/h6-11,14H,4-5,12-13,15,22H2,1-3H3,(H,23,25)
InChIKeyBVAOLXCTXVRCOY-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.23
Rot. Bonds9

About 5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide

5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide (PubChem CID 120642057) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide
PubChem CID120642057
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide
SMILESCCN(CC)CCOc1ccc(CNC(=O)c2cc(N)ccc2C)cc1
InChIInChI=1S/C21H29N3O2/c1-4-24(5-2)12-13-26-19-10-7-17(8-11-19)15-23-21(25)20-14-18(22)9-6-16(20)3/h6-11,14H,4-5,12-13,15,22H2,1-3H3,(H,23,25)
InChIKeyBVAOLXCTXVRCOY-UHFFFAOYSA-N
XLogP3.23
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide;dihydrochloride
CID 119848317
2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride
CID 119946524
5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide
CID 120644583
5-amino-2-methyl-N-[4-(4-methylphenoxy)butyl]benzamide;hydrochloride
CID 120622289
2-[amino(methyl)amino]-N-[[4-[3-(diethylamino)propoxy]phenyl]methyl]benzamide
CID 142171716
4-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247315
methyl 2-[[4-[[(5-amino-2-methylbenzoyl)amino]methyl]phenyl]methylsulfonyl]acetate
CID 120639109
2,5-diamino-N-[2-(diethylamino)ethyl]benzamide
CID 21398311
4-amino-2-[2-(diethylamino)ethoxy]benzoic acid
CID 56992725
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethylbenzamide;hydrochloride
CID 120618208
5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 120647867
2,4-dichloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
CID 15137000

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide (CID 120642057) is 5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide is CCN(CC)CCOc1ccc(CNC(=O)c2cc(N)ccc2C)cc1.
What is the InChIKey of 5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide?
The InChIKey is BVAOLXCTXVRCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-4-24(5-2)12-13-26-19-10-7-17(8-11-19)15-23-21(25)20-14-18(22)9-6-16(20)3/h6-11,14H,4-5,12-13,15,22H2,1-3H3,(H,23,25).
What are the key properties of 5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide?
5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide has a molecular weight of 355.48 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 120642057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).