3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide

C18H30N2O2 — CID 94759946

IUPAC3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide
SMILESCCCOc1ccc(CCC(=O)N(CCC)CCC)cc1N
InChIInChI=1S/C18H30N2O2/c1-4-11-20(12-5-2)18(21)10-8-15-7-9-17(16(19)14-15)22-13-6-3/h7,9,14H,4-6,8,10-13,19H2,1-3H3
InChIKeyFUTSHMNKJZXNCM-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.64
Rot. Bonds10

About 3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide

3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide (PubChem CID 94759946) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide
PubChem CID94759946
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide
SMILESCCCOc1ccc(CCC(=O)N(CCC)CCC)cc1N
InChIInChI=1S/C18H30N2O2/c1-4-11-20(12-5-2)18(21)10-8-15-7-9-17(16(19)14-15)22-13-6-3/h7,9,14H,4-6,8,10-13,19H2,1-3H3
InChIKeyFUTSHMNKJZXNCM-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-propoxyphenyl)-N,N-dimethylpropanamide
CID 82153364
3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide
CID 82070952
3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide
CID 82071433
3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide
CID 82153401
3-(3-amino-4-butoxyphenyl)propanoic acid
CID 82152584
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide
CID 94759931
3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide
CID 82070927
3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
CID 82152739
3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide
CID 82152736
3-[3-amino-4-(2-phenoxyethoxy)phenyl]-N,N-dimethylpropanamide
CID 82153398
3-(3-amino-4-butoxyphenyl)-N-propylpropanamide
CID 82152760
3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
CID 86929569

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide?
The IUPAC name of 3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide (CID 94759946) is 3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide is CCCOc1ccc(CCC(=O)N(CCC)CCC)cc1N.
What is the InChIKey of 3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide?
The InChIKey is FUTSHMNKJZXNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-11-20(12-5-2)18(21)10-8-15-7-9-17(16(19)14-15)22-13-6-3/h7,9,14H,4-6,8,10-13,19H2,1-3H3.
What are the key properties of 3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide?
3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide 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-propoxyphenyl)-N,N-dipropylpropanamide is sourced from PubChem (CID 94759946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).