[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate

C23H30N2O6 — CID 26008868

IUPAC[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)C2(CC(=O)N3CCOCC3)CCCC2)cc1
InChIInChI=1S/C23H30N2O6/c1-16(26)18-5-7-19(8-6-18)24-21(28)17(2)31-22(29)23(9-3-4-10-23)15-20(27)25-11-13-30-14-12-25/h5-8,17H,3-4,9-15H2,1-2H3,(H,24,28)/t17-/m0/s1
InChIKeyLDIOZBOCTWOVPJ-KRWDZBQOSA-N
MW430.50 g/mol
LogP2.57
Rot. Bonds7

About [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate

[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate (PubChem CID 26008868) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate
PubChem CID26008868
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC Name[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate
SMILESCC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)C2(CC(=O)N3CCOCC3)CCCC2)cc1
InChIInChI=1S/C23H30N2O6/c1-16(26)18-5-7-19(8-6-18)24-21(28)17(2)31-22(29)23(9-3-4-10-23)15-20(27)25-11-13-30-14-12-25/h5-8,17H,3-4,9-15H2,1-2H3,(H,24,28)/t17-/m0/s1
InChIKeyLDIOZBOCTWOVPJ-KRWDZBQOSA-N
XLogP2.57
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate
CID 26007369
[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate
CID 45355709
(2S)-N-(4-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
CID 8711503
4-[[2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetyl]amino]benzamide
CID 17479505
N-(4-acetylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973161
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] adamantane-1-carboxylate
CID 7514363
(2S)-N-(3-acetylphenyl)-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
CID 8711519
[(2S)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7376547
2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]-N-phenylacetamide
CID 9391214
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
methyl 4-[(3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate
CID 108943555
[1-(4-acetylanilino)-1-oxopropan-2-yl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 42963448

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate?
The IUPAC name of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate (CID 26008868) is [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate?
The canonical SMILES for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate is CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)C2(CC(=O)N3CCOCC3)CCCC2)cc1.
What is the InChIKey of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate?
The InChIKey is LDIOZBOCTWOVPJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H30N2O6/c1-16(26)18-5-7-19(8-6-18)24-21(28)17(2)31-22(29)23(9-3-4-10-23)15-20(27)25-11-13-30-14-12-25/h5-8,17H,3-4,9-15H2,1-2H3,(H,24,28)/t17-/m0/s1.
What are the key properties of [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate?
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate has a molecular weight of 430.50 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 1-(2-morpholin-4-yl-2-oxoethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 26008868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).