N-[2-(4-methoxyanilino)ethyl]propanamide

C12H18N2O2 — CID 12709131

IUPACN-[2-(4-methoxyanilino)ethyl]propanamide
SMILESCCC(=O)NCCNc1ccc(OC)cc1
InChIInChI=1S/C12H18N2O2/c1-3-12(15)14-9-8-13-10-4-6-11(16-2)7-5-10/h4-7,13H,3,8-9H2,1-2H3,(H,14,15)
InChIKeySIHLSZWAIAOWHT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.63
Rot. Bonds6

About N-[2-(4-methoxyanilino)ethyl]propanamide

N-[2-(4-methoxyanilino)ethyl]propanamide (PubChem CID 12709131) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)ethyl]propanamide
PubChem CID12709131
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[2-(4-methoxyanilino)ethyl]propanamide
SMILESCCC(=O)NCCNc1ccc(OC)cc1
InChIInChI=1S/C12H18N2O2/c1-3-12(15)14-9-8-13-10-4-6-11(16-2)7-5-10/h4-7,13H,3,8-9H2,1-2H3,(H,14,15)
InChIKeySIHLSZWAIAOWHT-UHFFFAOYSA-N
XLogP1.63
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.63
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
4-[(4-methoxybenzoyl)amino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062271
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
N-butyl-3-(4-methoxyanilino)propanamide
CID 109012293
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propanamide
CID 121075051
N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide
CID 109016275
1-butan-2-yl-3-[4-[2-(4-methoxyanilino)ethylamino]phenyl]urea
CID 130268599
N-(2-ethylsulfonylethyl)-4-methoxyaniline
CID 43807675
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
3-(4-bromoanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031057
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
CID 109025818

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)ethyl]propanamide?
The IUPAC name of N-[2-(4-methoxyanilino)ethyl]propanamide (CID 12709131) is N-[2-(4-methoxyanilino)ethyl]propanamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)ethyl]propanamide?
The canonical SMILES for N-[2-(4-methoxyanilino)ethyl]propanamide is CCC(=O)NCCNc1ccc(OC)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)ethyl]propanamide?
The InChIKey is SIHLSZWAIAOWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-12(15)14-9-8-13-10-4-6-11(16-2)7-5-10/h4-7,13H,3,8-9H2,1-2H3,(H,14,15).
What are the key properties of N-[2-(4-methoxyanilino)ethyl]propanamide?
N-[2-(4-methoxyanilino)ethyl]propanamide has a molecular weight of 222.29 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)ethyl]propanamide is sourced from PubChem (CID 12709131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).