N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)propanamide

C22H31N3O3 — CID 110303030

IUPACN-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)propanamide
SMILESCCN1CCN(C(CNC(=O)CCc2ccco2)c2ccccc2OC)CC1
InChIInChI=1S/C22H31N3O3/c1-3-24-12-14-25(15-13-24)20(19-8-4-5-9-21(19)27-2)17-23-22(26)11-10-18-7-6-16-28-18/h4-9,16,20H,3,10-15,17H2,1-2H3,(H,23,26)
InChIKeyMTNNRFUIDQRSAK-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.72
Rot. Bonds9

About N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)propanamide

N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)propanamide (PubChem CID 110303030) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)propanamide
PubChem CID110303030
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)propanamide
SMILESCCN1CCN(C(CNC(=O)CCc2ccco2)c2ccccc2OC)CC1
InChIInChI=1S/C22H31N3O3/c1-3-24-12-14-25(15-13-24)20(19-8-4-5-9-21(19)27-2)17-23-22(26)11-10-18-7-6-16-28-18/h4-9,16,20H,3,10-15,17H2,1-2H3,(H,23,26)
InChIKeyMTNNRFUIDQRSAK-UHFFFAOYSA-N
XLogP2.72
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]carbamate
CID 112504673
3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 47097123
N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]pentanamide
CID 112504087
2-[[ethylamino-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111322837
3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 110302956
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 78791262
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43019781
N-(2-ethylbutyl)-3-(furan-2-yl)propanamide
CID 115612823
3-(furan-2-yl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 110304126
3-(1H-indol-3-yl)-N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 2552209
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(methylamino)acetamide
CID 120703941
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 8700451

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)propanamide (CID 110303030) is N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)propanamide is CCN1CCN(C(CNC(=O)CCc2ccco2)c2ccccc2OC)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)propanamide?
The InChIKey is MTNNRFUIDQRSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-3-24-12-14-25(15-13-24)20(19-8-4-5-9-21(19)27-2)17-23-22(26)11-10-18-7-6-16-28-18/h4-9,16,20H,3,10-15,17H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)propanamide?
N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)propanamide has a molecular weight of 385.51 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenyl)ethyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 110303030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).