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

C18H23N3O2 — CID 23653294

IUPAC2-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)acetamide
SMILESCN(C)CCNCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H23N3O2/c1-21(2)13-12-19-14-18(22)20-15-8-10-17(11-9-15)23-16-6-4-3-5-7-16/h3-11,19H,12-14H2,1-2H3,(H,20,22)
InChIKeyIYHCEEYVKYSVQC-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.57
Rot. Bonds8

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

2-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)acetamide (PubChem CID 23653294) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)acetamide
PubChem CID23653294
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)acetamide
SMILESCN(C)CCNCC(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H23N3O2/c1-21(2)13-12-19-14-18(22)20-15-8-10-17(11-9-15)23-16-6-4-3-5-7-16/h3-11,19H,12-14H2,1-2H3,(H,20,22)
InChIKeyIYHCEEYVKYSVQC-UHFFFAOYSA-N
XLogP2.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.57
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-phenylmethoxyphenyl)acetamide
CID 108994541
N-(4-phenoxyphenyl)-2-(propylamino)acetamide
CID 54818609
2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide
CID 108994496
2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 108994500
N-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994520
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
CID 28586883
(3S)-N-[2-(dimethylamino)ethyl]-3-[(4-phenoxyphenyl)carbamoylamino]-4-phenylbutanamide
CID 58843177
N-(3-acetamidophenyl)-2-(4-phenoxyanilino)acetamide
CID 54812613
5-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)pyrazine-2-carboxamide
CID 109277421
N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362283
2-[methyl(3,3,3-trifluoropropyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 166194514

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)acetamide (CID 23653294) is 2-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)acetamide is CN(C)CCNCC(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is IYHCEEYVKYSVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-21(2)13-12-19-14-18(22)20-15-8-10-17(11-9-15)23-16-6-4-3-5-7-16/h3-11,19H,12-14H2,1-2H3,(H,20,22).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)acetamide?
2-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.57, 8 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-phenoxyphenyl)acetamide is sourced from PubChem (CID 23653294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).