ethyl 4-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperazine-1-carboxylate

C20H30N4O4 — CID 8932063

IUPACethyl 4-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN([C@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C20H30N4O4/c1-5-28-20(27)24-12-10-23(11-13-24)16(3)19(26)22(4)14-18(25)21-17-8-6-15(2)7-9-17/h6-9,16H,5,10-14H2,1-4H3,(H,21,25)/t16-/m1/s1
InChIKeyVWDGOYBLSSVKAQ-MRXNPFEDSA-N
MW390.48 g/mol
LogP1.55
Rot. Bonds6

About ethyl 4-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperazine-1-carboxylate

ethyl 4-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperazine-1-carboxylate (PubChem CID 8932063) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is ethyl 4-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperazine-1-carboxylate
PubChem CID8932063
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Nameethyl 4-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN([C@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C20H30N4O4/c1-5-28-20(27)24-12-10-23(11-13-24)16(3)19(26)22(4)14-18(25)21-17-8-6-15(2)7-9-17/h6-9,16H,5,10-14H2,1-4H3,(H,21,25)/t16-/m1/s1
InChIKeyVWDGOYBLSSVKAQ-MRXNPFEDSA-N
XLogP1.55
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-piperidin-1-ylpropanamide
CID 8894647
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 17494408
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 17484909
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8687371
N-methyl-1-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489817
N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
CID 46563050
(2S)-2-(2,3-dihydroindol-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8704392
ethyl 4-[1-(4-tert-butylanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 55351259
(2S)-2-amino-N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119265149
(2R)-N-benzyl-N-methyl-2-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30738921
ethyl 1-[(2S)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate
CID 8931364
2-(4-acetylpiperazin-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 8904009

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperazine-1-carboxylate (CID 8932063) is ethyl 4-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN([C@H](C)C(=O)N(C)CC(=O)Nc2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 4-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperazine-1-carboxylate?
The InChIKey is VWDGOYBLSSVKAQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-5-28-20(27)24-12-10-23(11-13-24)16(3)19(26)22(4)14-18(25)21-17-8-6-15(2)7-9-17/h6-9,16H,5,10-14H2,1-4H3,(H,21,25)/t16-/m1/s1.
What are the key properties of ethyl 4-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperazine-1-carboxylate?
ethyl 4-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperazine-1-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2R)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 8932063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).