N-butyl-3-(4-methoxyanilino)propanamide

C14H22N2O2 — CID 109012293

IUPACN-butyl-3-(4-methoxyanilino)propanamide
SMILESCCCCNC(=O)CCNc1ccc(OC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-4-10-16-14(17)9-11-15-12-5-7-13(18-2)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyUQOKAXAVEWXQEP-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.41
Rot. Bonds8

About N-butyl-3-(4-methoxyanilino)propanamide

N-butyl-3-(4-methoxyanilino)propanamide (PubChem CID 109012293) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-butyl-3-(4-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-butyl-3-(4-methoxyanilino)propanamide
PubChem CID109012293
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-butyl-3-(4-methoxyanilino)propanamide
SMILESCCCCNC(=O)CCNc1ccc(OC)cc1
InChIInChI=1S/C14H22N2O2/c1-3-4-10-16-14(17)9-11-15-12-5-7-13(18-2)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyUQOKAXAVEWXQEP-UHFFFAOYSA-N
XLogP2.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyanilino)-N-propylpropanamide
CID 109011414
N-butyl-3-(3-methoxyanilino)propanamide
CID 109012292
N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide
CID 109016275
N-butyl-3-(4-phenylmethoxyanilino)propanamide
CID 109012323
N-butyl-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109012203
3-(4-methylanilino)-N-pentylpropanamide
CID 109032122
N-butyl-3-(pyridin-4-ylamino)propanamide
CID 129043658
N-[2-(4-methoxyanilino)ethyl]propanamide
CID 12709131
N-butyl-3-(3,4,5-trimethoxyanilino)propanamide
CID 109012336
3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031057
N-[(4-methoxyphenyl)methyl]-3-(4-methylanilino)propanamide
CID 8833236
N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
CID 109025818

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(4-methoxyanilino)propanamide?
The IUPAC name of N-butyl-3-(4-methoxyanilino)propanamide (CID 109012293) is N-butyl-3-(4-methoxyanilino)propanamide.
What is the SMILES notation for N-butyl-3-(4-methoxyanilino)propanamide?
The canonical SMILES for N-butyl-3-(4-methoxyanilino)propanamide is CCCCNC(=O)CCNc1ccc(OC)cc1.
What is the InChIKey of N-butyl-3-(4-methoxyanilino)propanamide?
The InChIKey is UQOKAXAVEWXQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-10-16-14(17)9-11-15-12-5-7-13(18-2)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17).
What are the key properties of N-butyl-3-(4-methoxyanilino)propanamide?
N-butyl-3-(4-methoxyanilino)propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(4-methoxyanilino)propanamide is sourced from PubChem (CID 109012293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).