N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide

C14H23N3O2 — CID 109016275

IUPACN-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)NCCN(C)C)cc1
InChIInChI=1S/C14H23N3O2/c1-17(2)11-10-16-14(18)8-9-15-12-4-6-13(19-3)7-5-12/h4-7,15H,8-11H2,1-3H3,(H,16,18)
InChIKeyURASAONEXQMSBB-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.17
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide

N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide (PubChem CID 109016275) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide
PubChem CID109016275
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)NCCN(C)C)cc1
InChIInChI=1S/C14H23N3O2/c1-17(2)11-10-16-14(18)8-9-15-12-4-6-13(19-3)7-5-12/h4-7,15H,8-11H2,1-3H3,(H,16,18)
InChIKeyURASAONEXQMSBB-UHFFFAOYSA-N
XLogP1.17
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxyanilino)-N-propylpropanamide
CID 109011414
3-(4-tert-butylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016257
N-butyl-3-(4-methoxyanilino)propanamide
CID 109012293
3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016336
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
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
N-[2-(4-methoxyanilino)ethyl]propanamide
CID 12709131
1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868221
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807
1-[2-(dimethylamino)ethyl]-3-[2-(4-methoxyphenyl)propan-2-yl]urea
CID 113216404

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide (CID 109016275) is N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide is COc1ccc(NCCC(=O)NCCN(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide?
The InChIKey is URASAONEXQMSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-17(2)11-10-16-14(18)8-9-15-12-4-6-13(19-3)7-5-12/h4-7,15H,8-11H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide?
N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(4-methoxyanilino)propanamide is sourced from PubChem (CID 109016275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).