2-[2-(3-phenylpropoxy)anilino]-N,N-dipropylacetamide

C23H32N2O2 — CID 54827103

IUPAC2-[2-(3-phenylpropoxy)anilino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CNc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C23H32N2O2/c1-3-16-25(17-4-2)23(26)19-24-21-14-8-9-15-22(21)27-18-10-13-20-11-6-5-7-12-20/h5-9,11-12,14-15,24H,3-4,10,13,16-19H2,1-2H3
InChIKeyMQVHIYWQPJNEGE-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.76
Rot. Bonds12

About 2-[2-(3-phenylpropoxy)anilino]-N,N-dipropylacetamide

2-[2-(3-phenylpropoxy)anilino]-N,N-dipropylacetamide (PubChem CID 54827103) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-[2-(3-phenylpropoxy)anilino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[2-(3-phenylpropoxy)anilino]-N,N-dipropylacetamide
PubChem CID54827103
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name2-[2-(3-phenylpropoxy)anilino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CNc1ccccc1OCCCc1ccccc1
InChIInChI=1S/C23H32N2O2/c1-3-16-25(17-4-2)23(26)19-24-21-14-8-9-15-22(21)27-18-10-13-20-11-6-5-7-12-20/h5-9,11-12,14-15,24H,3-4,10,13,16-19H2,1-2H3
InChIKeyMQVHIYWQPJNEGE-UHFFFAOYSA-N
XLogP4.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dipropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54818625
N-(3-hexoxyphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827137
N-(3,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827069
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
2-(3-phenylpropoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54801329
N-(2-ethyl-6-methylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54826773
2-[2-(2-ethoxyethoxy)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54827411
N-methyl-2-(3-phenylpropoxy)aniline
CID 54803384
2-(3-phenylpropoxy)-N-[(3-propoxyphenyl)methyl]aniline
CID 54801278
N-(2,5-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827070
N-(3,4-dimethylphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54826855
2-hexoxy-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131458

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenylpropoxy)anilino]-N,N-dipropylacetamide?
The IUPAC name of 2-[2-(3-phenylpropoxy)anilino]-N,N-dipropylacetamide (CID 54827103) is 2-[2-(3-phenylpropoxy)anilino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[2-(3-phenylpropoxy)anilino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[2-(3-phenylpropoxy)anilino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CNc1ccccc1OCCCc1ccccc1.
What is the InChIKey of 2-[2-(3-phenylpropoxy)anilino]-N,N-dipropylacetamide?
The InChIKey is MQVHIYWQPJNEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-3-16-25(17-4-2)23(26)19-24-21-14-8-9-15-22(21)27-18-10-13-20-11-6-5-7-12-20/h5-9,11-12,14-15,24H,3-4,10,13,16-19H2,1-2H3.
What are the key properties of 2-[2-(3-phenylpropoxy)anilino]-N,N-dipropylacetamide?
2-[2-(3-phenylpropoxy)anilino]-N,N-dipropylacetamide has a molecular weight of 368.52 g/mol, XLogP of 4.76, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenylpropoxy)anilino]-N,N-dipropylacetamide is sourced from PubChem (CID 54827103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).