2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide

C15H25N3O — CID 43398896

IUPAC2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H25N3O/c1-4-17-15(19)12-16-11-13-7-9-14(10-8-13)18(5-2)6-3/h7-10,16H,4-6,11-12H2,1-3H3,(H,17,19)
InChIKeyLNNMXNPWWGJYPM-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.76
Rot. Bonds8

About 2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide

2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide (PubChem CID 43398896) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide
PubChem CID43398896
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide
SMILESCCNC(=O)CNCc1ccc(N(CC)CC)cc1
InChIInChI=1S/C15H25N3O/c1-4-17-15(19)12-16-11-13-7-9-14(10-8-13)18(5-2)6-3/h7-10,16H,4-6,11-12H2,1-3H3,(H,17,19)
InChIKeyLNNMXNPWWGJYPM-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-ethoxyphenyl)methylamino]-N-ethylacetamide
CID 43398927
4-[(2-bromoprop-2-enylamino)methyl]-N,N-diethylaniline
CID 115614882
2-[(3,4-dimethylphenyl)methylamino]-N-ethylacetamide
CID 43221669
N-ethyl-2-[(4-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43777709
N-[4-(diethylamino)phenyl]-2-(ethylamino)acetamide
CID 60641172
N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide
CID 99839723
N-[[4-(diethylamino)phenyl]methyl]-2-phenylacetamide
CID 99839692
N-ethyl-2-[(4-piperidin-1-ylphenyl)methylamino]acetamide
CID 43398950
2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide
CID 100610001
2-(1,3-benzodioxol-5-ylmethylamino)-N-[4-(diethylamino)phenyl]acetamide
CID 108998771
2-[N-ethyl-4-(propylaminomethyl)anilino]-N-methylacetamide
CID 61449191
2-[(3-bromo-4-fluorophenyl)methylamino]-N-ethylacetamide
CID 43398957

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide?
The IUPAC name of 2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide (CID 43398896) is 2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide is CCNC(=O)CNCc1ccc(N(CC)CC)cc1.
What is the InChIKey of 2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide?
The InChIKey is LNNMXNPWWGJYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-17-15(19)12-16-11-13-7-9-14(10-8-13)18(5-2)6-3/h7-10,16H,4-6,11-12H2,1-3H3,(H,17,19).
What are the key properties of 2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide?
2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide has a molecular weight of 263.38 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)phenyl]methylamino]-N-ethylacetamide is sourced from PubChem (CID 43398896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).