N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide

C16H27N3O2 — CID 43089244

IUPACN-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide
SMILESCOCCNC(=O)C(C)NCCCN(C)c1ccccc1
InChIInChI=1S/C16H27N3O2/c1-14(16(20)18-11-13-21-3)17-10-7-12-19(2)15-8-5-4-6-9-15/h4-6,8-9,14,17H,7,10-13H2,1-3H3,(H,18,20)
InChIKeyIMZSZGDUMJHRCH-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.25
Rot. Bonds10

About N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide

N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide (PubChem CID 43089244) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide
PubChem CID43089244
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide
SMILESCOCCNC(=O)C(C)NCCCN(C)c1ccccc1
InChIInChI=1S/C16H27N3O2/c1-14(16(20)18-11-13-21-3)17-10-7-12-19(2)15-8-5-4-6-9-15/h4-6,8-9,14,17H,7,10-13H2,1-3H3,(H,18,20)
InChIKeyIMZSZGDUMJHRCH-UHFFFAOYSA-N
XLogP1.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(N-methylanilino)propylamino]-N-propan-2-ylpropanamide
CID 43089243
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693730
2-[3-(N-methylanilino)propylamino]-N-(methylcarbamoyl)propanamide
CID 43089232
2-amino-4-methoxy-N-[3-(N-methylanilino)propyl]butanamide
CID 62475149
3-[3-(N-methylanilino)propylamino]butanoic acid
CID 43536640
3,4,5-trimethoxy-N-[1-[3-(N-methylanilino)propylamino]-1-oxopropan-2-yl]benzamide
CID 43008482
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
2-(2-methoxyphenyl)-N-[3-(N-methylanilino)propyl]acetamide
CID 31103541
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
2-(3-methoxyphenoxy)-N-[3-(N-methylanilino)propyl]propanamide
CID 132652371
5-(methoxymethyl)-N-[3-(N-methylanilino)propyl]furan-2-carboxamide
CID 78833523
N-(2-methoxyethyl)-2-(nonylamino)propanamide
CID 115574851

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide (CID 43089244) is N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide is COCCNC(=O)C(C)NCCCN(C)c1ccccc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide?
The InChIKey is IMZSZGDUMJHRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-14(16(20)18-11-13-21-3)17-10-7-12-19(2)15-8-5-4-6-9-15/h4-6,8-9,14,17H,7,10-13H2,1-3H3,(H,18,20).
What are the key properties of N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide?
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide has a molecular weight of 293.41 g/mol, XLogP of 1.25, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]propanamide is sourced from PubChem (CID 43089244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).