2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide

C25H32N4O4 — CID 35130352

IUPAC2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCCc1ccc(C(=O)N2CCN(CC(=O)NCC(=O)Nc3cc(C)ccc3OC)CC2)cc1
InChIInChI=1S/C25H32N4O4/c1-4-19-6-8-20(9-7-19)25(32)29-13-11-28(12-14-29)17-24(31)26-16-23(30)27-21-15-18(2)5-10-22(21)33-3/h5-10,15H,4,11-14,16-17H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyFMIDRCMTUBWVAB-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.08
Rot. Bonds8

About 2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 35130352) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID35130352
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCCc1ccc(C(=O)N2CCN(CC(=O)NCC(=O)Nc3cc(C)ccc3OC)CC2)cc1
InChIInChI=1S/C25H32N4O4/c1-4-19-6-8-20(9-7-19)25(32)29-13-11-28(12-14-29)17-24(31)26-16-23(30)27-21-15-18(2)5-10-22(21)33-3/h5-10,15H,4,11-14,16-17H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyFMIDRCMTUBWVAB-UHFFFAOYSA-N
XLogP2.08
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-[[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]amino]acetamide
CID 55838607
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 33073903
2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 27156862
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
3-[4-(4-ethylbenzoyl)piperazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 35138374
2-[[2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 55838143
N-(2-methoxy-5-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6465919
N-(2,3-dimethylphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 27859906
4-[2-(butan-2-ylamino)-2-oxoethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 55696263
ethyl (3R)-1-[2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 51562598
1-(3,5-dimethoxybenzoyl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 46472676
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-5-(4-methylphenyl)pentanamide
CID 60602041

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 35130352) is 2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide is CCc1ccc(C(=O)N2CCN(CC(=O)NCC(=O)Nc3cc(C)ccc3OC)CC2)cc1.
What is the InChIKey of 2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is FMIDRCMTUBWVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-4-19-6-8-20(9-7-19)25(32)29-13-11-28(12-14-29)17-24(31)26-16-23(30)27-21-15-18(2)5-10-22(21)33-3/h5-10,15H,4,11-14,16-17H2,1-3H3,(H,26,31)(H,27,30).
What are the key properties of 2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 452.56 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 35130352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).