N-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide

C23H37N5O4 — CID 55445521

IUPACN-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CN(C)CC(=O)NCCCOC)CC1
InChIInChI=1S/C23H37N5O4/c1-4-19-8-5-6-9-20(19)25-22(30)17-27-11-13-28(14-12-27)23(31)18-26(2)16-21(29)24-10-7-15-32-3/h5-6,8-9H,4,7,10-18H2,1-3H3,(H,24,29)(H,25,30)
InChIKeyNMSVPGCDKIEDKH-UHFFFAOYSA-N
MW447.58 g/mol
LogP0.42
Rot. Bonds12

About N-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide

N-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide (PubChem CID 55445521) has the molecular formula C23H37N5O4 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide
PubChem CID55445521
Molecular FormulaC23H37N5O4
Molecular Weight447.58 g/mol
Exact Mass447.28
IUPAC NameN-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CN(C)CC(=O)NCCCOC)CC1
InChIInChI=1S/C23H37N5O4/c1-4-19-8-5-6-9-20(19)25-22(30)17-27-11-13-28(14-12-27)23(31)18-26(2)16-21(29)24-10-7-15-32-3/h5-6,8-9H,4,7,10-18H2,1-3H3,(H,24,29)(H,25,30)
InChIKeyNMSVPGCDKIEDKH-UHFFFAOYSA-N
XLogP0.42
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-2-[4-[2-(3-methoxypropylsulfonylamino)acetyl]piperazin-1-yl]acetamide
CID 71913315
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N-(2-ethylphenyl)-2-[4-[2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetyl]piperazin-1-yl]acetamide
CID 24665074
2-[4-(6-acetamidohexanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39439879
N-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8773380
N-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide
CID 112799747
N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
CID 60522003
2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 120594769
N-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 51171639
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 51260991
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide (CID 55445521) is N-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)CN(C)CC(=O)NCCCOC)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide?
The InChIKey is NMSVPGCDKIEDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O4/c1-4-19-8-5-6-9-20(19)25-22(30)17-27-11-13-28(14-12-27)23(31)18-26(2)16-21(29)24-10-7-15-32-3/h5-6,8-9H,4,7,10-18H2,1-3H3,(H,24,29)(H,25,30).
What are the key properties of N-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide has a molecular weight of 447.58 g/mol, XLogP of 0.42, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55445521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).