5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide

C20H27N3O3 — CID 120644583

IUPAC5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide
SMILESCOc1cc(CNC(=O)c2cc(N)ccc2C)ccc1OCCN(C)C
InChIInChI=1S/C20H27N3O3/c1-14-5-7-16(21)12-17(14)20(24)22-13-15-6-8-18(19(11-15)25-4)26-10-9-23(2)3/h5-8,11-12H,9-10,13,21H2,1-4H3,(H,22,24)
InChIKeyCEUNJZAYXXKCKS-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.46
Rot. Bonds8

About 5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide

5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide (PubChem CID 120644583) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide
PubChem CID120644583
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide
SMILESCOc1cc(CNC(=O)c2cc(N)ccc2C)ccc1OCCN(C)C
InChIInChI=1S/C20H27N3O3/c1-14-5-7-16(21)12-17(14)20(24)22-13-15-6-8-18(19(11-15)25-4)26-10-9-23(2)3/h5-8,11-12H,9-10,13,21H2,1-4H3,(H,22,24)
InChIKeyCEUNJZAYXXKCKS-UHFFFAOYSA-N
XLogP2.46
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide;dihydrochloride
CID 119858648
5-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylbenzamide
CID 120630970
(2S)-2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-3-methylbutanamide
CID 119858639
N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-(methylamino)acetamide;dihydrochloride
CID 119858622
5-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methylbenzamide
CID 120642057
N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide
CID 82877628
2-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylpentanamide;dihydrochloride
CID 119858674
5-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-methylbenzamide;hydrochloride
CID 120623370
5-amino-N-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]-2-methylbenzamide
CID 120647067
2,4-dichloro-N-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]benzamide
CID 55931317
3-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119858619
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 107229452

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide (CID 120644583) is 5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide is COc1cc(CNC(=O)c2cc(N)ccc2C)ccc1OCCN(C)C.
What is the InChIKey of 5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide?
The InChIKey is CEUNJZAYXXKCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14-5-7-16(21)12-17(14)20(24)22-13-15-6-8-18(19(11-15)25-4)26-10-9-23(2)3/h5-8,11-12H,9-10,13,21H2,1-4H3,(H,22,24).
What are the key properties of 5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide?
5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide has a molecular weight of 357.45 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 120644583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).