2-[2-(3-butoxyphenyl)ethylamino]-3-methoxy-N,N-dimethylpropanamide

C18H30N2O3 — CID 25166469

IUPAC2-[2-(3-butoxyphenyl)ethylamino]-3-methoxy-N,N-dimethylpropanamide
SMILESCCCCOc1cccc(CCNC(COC)C(=O)N(C)C)c1
InChIInChI=1S/C18H30N2O3/c1-5-6-12-23-16-9-7-8-15(13-16)10-11-19-17(14-22-4)18(21)20(2)3/h7-9,13,17,19H,5-6,10-12,14H2,1-4H3
InChIKeyGNZSOXBPRNHNGO-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.10
Rot. Bonds11

About 2-[2-(3-butoxyphenyl)ethylamino]-3-methoxy-N,N-dimethylpropanamide

2-[2-(3-butoxyphenyl)ethylamino]-3-methoxy-N,N-dimethylpropanamide (PubChem CID 25166469) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 2-[2-(3-butoxyphenyl)ethylamino]-3-methoxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[2-(3-butoxyphenyl)ethylamino]-3-methoxy-N,N-dimethylpropanamide
PubChem CID25166469
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name2-[2-(3-butoxyphenyl)ethylamino]-3-methoxy-N,N-dimethylpropanamide
SMILESCCCCOc1cccc(CCNC(COC)C(=O)N(C)C)c1
InChIInChI=1S/C18H30N2O3/c1-5-6-12-23-16-9-7-8-15(13-16)10-11-19-17(14-22-4)18(21)20(2)3/h7-9,13,17,19H,5-6,10-12,14H2,1-4H3
InChIKeyGNZSOXBPRNHNGO-UHFFFAOYSA-N
XLogP2.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride
CID 141361844
4-[2-(3-butoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 22682317
1-(3-butoxyphenyl)butan-2-one
CID 82161239
N-[2-[2-(3-butoxyphenyl)ethylamino]ethyl]-N-ethylacetamide;hydrochloride
CID 141361840
N,N-dimethyl-5-(3-propylphenoxy)pentanamide
CID 173258398
4-[3-(methoxymethyl)phenoxy]-2-(propylamino)butanoic acid
CID 63985791
3-[2-(3-hexoxyphenyl)ethylamino]propanoic acid
CID 23121635
3-[2-(3-decoxyphenyl)ethylamino]propanoic acid
CID 23121759
2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide
CID 25165875
2-(3-butoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 4733178
N-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)ethylamino]propanamide
CID 107852150
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-butoxyphenyl)ethylamino]-3-methoxy-N,N-dimethylpropanamide?
The IUPAC name of 2-[2-(3-butoxyphenyl)ethylamino]-3-methoxy-N,N-dimethylpropanamide (CID 25166469) is 2-[2-(3-butoxyphenyl)ethylamino]-3-methoxy-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[2-(3-butoxyphenyl)ethylamino]-3-methoxy-N,N-dimethylpropanamide?
The canonical SMILES for 2-[2-(3-butoxyphenyl)ethylamino]-3-methoxy-N,N-dimethylpropanamide is CCCCOc1cccc(CCNC(COC)C(=O)N(C)C)c1.
What is the InChIKey of 2-[2-(3-butoxyphenyl)ethylamino]-3-methoxy-N,N-dimethylpropanamide?
The InChIKey is GNZSOXBPRNHNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-5-6-12-23-16-9-7-8-15(13-16)10-11-19-17(14-22-4)18(21)20(2)3/h7-9,13,17,19H,5-6,10-12,14H2,1-4H3.
What are the key properties of 2-[2-(3-butoxyphenyl)ethylamino]-3-methoxy-N,N-dimethylpropanamide?
2-[2-(3-butoxyphenyl)ethylamino]-3-methoxy-N,N-dimethylpropanamide has a molecular weight of 322.45 g/mol, XLogP of 2.10, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-butoxyphenyl)ethylamino]-3-methoxy-N,N-dimethylpropanamide is sourced from PubChem (CID 25166469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).