3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide

C18H30N2O2 — CID 82071433

IUPAC3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide
SMILESCCCCN(CCCC)C(=O)CCc1ccc(OC)c(N)c1
InChIInChI=1S/C18H30N2O2/c1-4-6-12-20(13-7-5-2)18(21)11-9-15-8-10-17(22-3)16(19)14-15/h8,10,14H,4-7,9,11-13,19H2,1-3H3
InChIKeyHLPHEKBVFLXJTH-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.64
Rot. Bonds10

About 3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide

3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide (PubChem CID 82071433) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide
PubChem CID82071433
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide
SMILESCCCCN(CCCC)C(=O)CCc1ccc(OC)c(N)c1
InChIInChI=1S/C18H30N2O2/c1-4-6-12-20(13-7-5-2)18(21)11-9-15-8-10-17(22-3)16(19)14-15/h8,10,14H,4-7,9,11-13,19H2,1-3H3
InChIKeyHLPHEKBVFLXJTH-UHFFFAOYSA-N
XLogP3.64
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide
CID 94759931
3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide
CID 94759946
3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide
CID 82070952
N-(3-aminopropyl)-N-[3-[3-[3-aminopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]propylamino]propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 145301444
3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
CID 39245446
N-(4-aminobutyl)-N-[3-[3-[4-aminobutyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]propylamino]propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 146199362
N,N-dibutyl-3-(4-fluorophenyl)propanamide
CID 46906422
3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide
CID 82153364
3-(3-amino-4-butoxyphenyl)propanoic acid
CID 82152584
3-(3-amino-4-methoxyphenyl)-N-butan-2-ylpropanamide
CID 112501637
3-(5-amino-2,3-dimethoxyphenyl)-N-butyl-N-ethylpropanamide
CID 82071626
5-[3-(4-butylanilino)propyl]-2-methoxyaniline
CID 94760436

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide?
The IUPAC name of 3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide (CID 82071433) is 3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide.
What is the SMILES notation for 3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide?
The canonical SMILES for 3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide is CCCCN(CCCC)C(=O)CCc1ccc(OC)c(N)c1.
What is the InChIKey of 3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide?
The InChIKey is HLPHEKBVFLXJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-6-12-20(13-7-5-2)18(21)11-9-15-8-10-17(22-3)16(19)14-15/h8,10,14H,4-7,9,11-13,19H2,1-3H3.
What are the key properties of 3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide?
3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide has a molecular weight of 306.45 g/mol, XLogP of 3.64, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide is sourced from PubChem (CID 82071433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).