3-(4-methoxyanilino)-N-propylpropanamide

C13H20N2O2 — CID 109011414

IUPAC3-(4-methoxyanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCNc1ccc(OC)cc1
InChIInChI=1S/C13H20N2O2/c1-3-9-15-13(16)8-10-14-11-4-6-12(17-2)7-5-11/h4-7,14H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyUBSLYAYYIMEGFP-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.02
Rot. Bonds7

About 3-(4-methoxyanilino)-N-propylpropanamide

3-(4-methoxyanilino)-N-propylpropanamide (PubChem CID 109011414) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(4-methoxyanilino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(4-methoxyanilino)-N-propylpropanamide
PubChem CID109011414
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Name3-(4-methoxyanilino)-N-propylpropanamide
SMILESCCCNC(=O)CCNc1ccc(OC)cc1
InChIInChI=1S/C13H20N2O2/c1-3-9-15-13(16)8-10-14-11-4-6-12(17-2)7-5-11/h4-7,14H,3,8-10H2,1-2H3,(H,15,16)
InChIKeyUBSLYAYYIMEGFP-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3-(4-methoxyanilino)propanamide
CID 109012293
N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide
CID 109016275
N-[2-(4-methoxyanilino)ethyl]propanamide
CID 12709131
3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031057
3-(naphthalen-2-ylamino)-N-propylpropanamide
CID 62020504
N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 8833236
N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
CID 109025818
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
3-(4-amino-3-methoxyanilino)-N-propylpropanamide
CID 63676677
3-(4-methoxyanilino)-N-(propan-2-ylideneamino)propanamide
CID 102095351
N-(4-chlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109038116
N-butyl-3-(3-methoxyanilino)propanamide
CID 109012292

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyanilino)-N-propylpropanamide?
The IUPAC name of 3-(4-methoxyanilino)-N-propylpropanamide (CID 109011414) is 3-(4-methoxyanilino)-N-propylpropanamide.
What is the SMILES notation for 3-(4-methoxyanilino)-N-propylpropanamide?
The canonical SMILES for 3-(4-methoxyanilino)-N-propylpropanamide is CCCNC(=O)CCNc1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyanilino)-N-propylpropanamide?
The InChIKey is UBSLYAYYIMEGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-9-15-13(16)8-10-14-11-4-6-12(17-2)7-5-11/h4-7,14H,3,8-10H2,1-2H3,(H,15,16).
What are the key properties of 3-(4-methoxyanilino)-N-propylpropanamide?
3-(4-methoxyanilino)-N-propylpropanamide has a molecular weight of 236.32 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyanilino)-N-propylpropanamide is sourced from PubChem (CID 109011414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).