N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide

C24H33N3O2 — CID 109025321

IUPACN-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
SMILESCOc1ccccc1CCNC(=O)CCNc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C24H33N3O2/c1-19-13-17-27(18-14-19)22-9-7-21(8-10-22)25-16-12-24(28)26-15-11-20-5-3-4-6-23(20)29-2/h3-10,19,25H,11-18H2,1-2H3,(H,26,28)
InChIKeyNAVXSYFEJCBXKD-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.09
Rot. Bonds9

About N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide

N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide (PubChem CID 109025321) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
PubChem CID109025321
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
SMILESCOc1ccccc1CCNC(=O)CCNc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C24H33N3O2/c1-19-13-17-27(18-14-19)22-9-7-21(8-10-22)25-16-12-24(28)26-15-11-20-5-3-4-6-23(20)29-2/h3-10,19,25H,11-18H2,1-2H3,(H,26,28)
InChIKeyNAVXSYFEJCBXKD-UHFFFAOYSA-N
XLogP4.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 37222450
N-[(2-methoxyphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109022061
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 42857988
N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109039631
N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109025259
3-(2-methoxyphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60600910
3-[4-(4-methylpiperidin-1-yl)anilino]-N-(pyridin-4-ylmethyl)propanamide
CID 109023888
N-[2-(2-methoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108985391
trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94164156
1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992011
1-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-propylpiperazin-1-yl)phenyl]urea
CID 110620975
3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide (CID 109025321) is N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide is COc1ccccc1CCNC(=O)CCNc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
The InChIKey is NAVXSYFEJCBXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-19-13-17-27(18-14-19)22-9-7-21(8-10-22)25-16-12-24(28)26-15-11-20-5-3-4-6-23(20)29-2/h3-10,19,25H,11-18H2,1-2H3,(H,26,28).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide has a molecular weight of 395.55 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide is sourced from PubChem (CID 109025321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).