2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide

C19H25N3O2 — CID 108994541

IUPAC2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCN(C)CCNCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H25N3O2/c1-22(2)13-12-20-14-19(23)21-17-8-10-18(11-9-17)24-15-16-6-4-3-5-7-16/h3-11,20H,12-15H2,1-2H3,(H,21,23)
InChIKeyAGJHJUPBNFKUBZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.36
Rot. Bonds9

About 2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide

2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 108994541) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID108994541
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide
SMILESCN(C)CCNCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H25N3O2/c1-22(2)13-12-20-14-19(23)21-17-8-10-18(11-9-17)24-15-16-6-4-3-5-7-16/h3-11,20H,12-15H2,1-2H3,(H,21,23)
InChIKeyAGJHJUPBNFKUBZ-UHFFFAOYSA-N
XLogP2.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)acetamide
CID 23653294
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113160544
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-phenylmethoxyanilino)acetamide
CID 54821839
2-(cyclopropylmethylamino)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119669315
N',N'-dimethyl-N-(4-phenylmethoxyphenyl)ethane-1,2-diamine
CID 82096405
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide
CID 108994496
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
2-methyl-N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]benzamide
CID 92532530
N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999707
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832179

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide (CID 108994541) is 2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide is CN(C)CCNCC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is AGJHJUPBNFKUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-22(2)13-12-20-14-19(23)21-17-8-10-18(11-9-17)24-15-16-6-4-3-5-7-16/h3-11,20H,12-15H2,1-2H3,(H,21,23).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide?
2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 327.43 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 108994541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).