(2R)-2-ethoxy-N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide

C19H31N3O3 — CID 95151917

IUPAC(2R)-2-ethoxy-N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
SMILESCCO[C@H](C)C(=O)N[C@H](CN1CCN(C)CC1)c1ccc(OC)cc1
InChIInChI=1S/C19H31N3O3/c1-5-25-15(2)19(23)20-18(14-22-12-10-21(3)11-13-22)16-6-8-17(24-4)9-7-16/h6-9,15,18H,5,10-14H2,1-4H3,(H,20,23)/t15-,18-/m1/s1
InChIKeyFCRLORDCPDNRSU-CRAIPNDOSA-N
MW349.48 g/mol
LogP1.52
Rot. Bonds8

About (2R)-2-ethoxy-N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide

(2R)-2-ethoxy-N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide (PubChem CID 95151917) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (2R)-2-ethoxy-N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
PubChem CID95151917
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(2R)-2-ethoxy-N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
SMILESCCO[C@H](C)C(=O)N[C@H](CN1CCN(C)CC1)c1ccc(OC)cc1
InChIInChI=1S/C19H31N3O3/c1-5-25-15(2)19(23)20-18(14-22-12-10-21(3)11-13-22)16-6-8-17(24-4)9-7-16/h6-9,15,18H,5,10-14H2,1-4H3,(H,20,23)/t15-,18-/m1/s1
InChIKeyFCRLORDCPDNRSU-CRAIPNDOSA-N
XLogP1.52
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-ethoxy-N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]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

tert-butyl N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 95617125
(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 30814031
1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine
CID 82214808
N-[1-(4-methoxyphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 132649950
N-[bis(4-methoxyphenyl)methyl]-2-butoxypropanamide
CID 48658410
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)propanamide
CID 28956661
tert-butyl N-[1-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 76792948
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]hexanamide
CID 95149857
2-ethoxy-N-(2-hydroxy-1-phenylethyl)propanamide
CID 139898378
(2R)-N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38928242
(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 139630399
3-acetamido-3-(4-methoxyphenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 56518375

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-ethoxy-N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide (CID 95151917) is (2R)-2-ethoxy-N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-ethoxy-N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-ethoxy-N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide is CCO[C@H](C)C(=O)N[C@H](CN1CCN(C)CC1)c1ccc(OC)cc1.
What is the InChIKey of (2R)-2-ethoxy-N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The InChIKey is FCRLORDCPDNRSU-CRAIPNDOSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-5-25-15(2)19(23)20-18(14-22-12-10-21(3)11-13-22)16-6-8-17(24-4)9-7-16/h6-9,15,18H,5,10-14H2,1-4H3,(H,20,23)/t15-,18-/m1/s1.
What are the key properties of (2R)-2-ethoxy-N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide?
(2R)-2-ethoxy-N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide has a molecular weight of 349.48 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 95151917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).