2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide

C20H27N3O — CID 119835863

IUPAC2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)CNc2ccccc2)cc1
InChIInChI=1S/C20H27N3O/c1-3-23(4-2)16-18-12-10-17(11-13-18)14-22-20(24)15-21-19-8-6-5-7-9-19/h5-13,21H,3-4,14-16H2,1-2H3,(H,22,24)
InChIKeyZXTYWKRCKQHVEY-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.26
Rot. Bonds9

About 2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide

2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide (PubChem CID 119835863) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
PubChem CID119835863
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)CNc2ccccc2)cc1
InChIInChI=1S/C20H27N3O/c1-3-23(4-2)16-18-12-10-17(11-13-18)14-22-20(24)15-21-19-8-6-5-7-9-19/h5-13,21H,3-4,14-16H2,1-2H3,(H,22,24)
InChIKeyZXTYWKRCKQHVEY-UHFFFAOYSA-N
XLogP3.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 61259556
N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 31610326
2-anilino-N-[(4-bromophenyl)methyl]acetamide
CID 60862420
N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 8948128
4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 43580032
3-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide
CID 113385133
N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46655947
N-benzyl-2-(diethylamino)acetamide
CID 969777
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 110879994
3-[[(2-anilinoacetyl)amino]methyl]benzoic acid
CID 61161502
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
CID 8947910
N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703880

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide (CID 119835863) is 2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide is CCN(CC)Cc1ccc(CNC(=O)CNc2ccccc2)cc1.
What is the InChIKey of 2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide?
The InChIKey is ZXTYWKRCKQHVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-23(4-2)16-18-12-10-17(11-13-18)14-22-20(24)15-21-19-8-6-5-7-9-19/h5-13,21H,3-4,14-16H2,1-2H3,(H,22,24).
What are the key properties of 2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide?
2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide has a molecular weight of 325.46 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 119835863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).