2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide

C15H25N3O2 — CID 63670160

IUPAC2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide
SMILESCCCOc1cc(N(CC)CC(=O)N(C)C)ccc1N
InChIInChI=1S/C15H25N3O2/c1-5-9-20-14-10-12(7-8-13(14)16)18(6-2)11-15(19)17(3)4/h7-8,10H,5-6,9,11,16H2,1-4H3
InChIKeyAZDCHVURTORCRP-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.97
Rot. Bonds7

About 2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide

2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide (PubChem CID 63670160) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide
PubChem CID63670160
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide
SMILESCCCOc1cc(N(CC)CC(=O)N(C)C)ccc1N
InChIInChI=1S/C15H25N3O2/c1-5-9-20-14-10-12(7-8-13(14)16)18(6-2)11-15(19)17(3)4/h7-8,10H,5-6,9,11,16H2,1-4H3
InChIKeyAZDCHVURTORCRP-UHFFFAOYSA-N
XLogP1.97
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide
CID 63670161
2-(4-amino-N-ethyl-3-propoxyanilino)ethanol
CID 63670341
4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine
CID 63695941
2-amino-4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]benzoic acid
CID 104500358
4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine
CID 63671140
4-N-(4-methoxyphenyl)-4-N-methyl-2-propoxybenzene-1,4-diamine
CID 63677320
4-amino-3-propoxybenzamide
CID 63356295
4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine
CID 112657152
2-[(2-chloro-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 102824069
3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide
CID 82153364
2-(4-amino-3-propoxyanilino)-N,N-dimethylpropanamide
CID 63672206
2-[2-amino-5-(dimethylamino)phenoxy]ethanol
CID 79589167

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide (CID 63670160) is 2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide is CCCOc1cc(N(CC)CC(=O)N(C)C)ccc1N.
What is the InChIKey of 2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide?
The InChIKey is AZDCHVURTORCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-5-9-20-14-10-12(7-8-13(14)16)18(6-2)11-15(19)17(3)4/h7-8,10H,5-6,9,11,16H2,1-4H3.
What are the key properties of 2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide?
2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide has a molecular weight of 279.38 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-ethyl-3-propoxyanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 63670160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).