2-[4-[[1-(morpholine-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl N-tert-butylcarbamate

C23H34N4O5 — CID 175609498

IUPAC2-[4-[[1-(morpholine-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCc1ccc(NC(=O)C2CCCN2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H34N4O5/c1-23(2,3)25-21(29)32-14-10-17-6-8-18(9-7-17)24-20(28)19-5-4-11-27(19)22(30)26-12-15-31-16-13-26/h6-9,19H,4-5,10-16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyMJRGXWBWGSMYAM-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.61
Rot. Bonds5

About 2-[4-[[1-(morpholine-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl N-tert-butylcarbamate

2-[4-[[1-(morpholine-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl N-tert-butylcarbamate (PubChem CID 175609498) has the molecular formula C23H34N4O5 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-[4-[[1-(morpholine-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-[4-[[1-(morpholine-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl N-tert-butylcarbamate
PubChem CID175609498
Molecular FormulaC23H34N4O5
Molecular Weight446.55 g/mol
Exact Mass446.25
IUPAC Name2-[4-[[1-(morpholine-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCCc1ccc(NC(=O)C2CCCN2C(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H34N4O5/c1-23(2,3)25-21(29)32-14-10-17-6-8-18(9-7-17)24-20(28)19-5-4-11-27(19)22(30)26-12-15-31-16-13-26/h6-9,19H,4-5,10-16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyMJRGXWBWGSMYAM-UHFFFAOYSA-N
XLogP2.61
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(furan-2-carbonyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]pyrrolidine-2-carboxamide
CID 51966665
(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide
CID 110286160
tert-butyl (2S)-2-[[4-(hydroxymethyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 172641100
N-(5-tert-butyl-1,2-oxazol-3-yl)-1-(morpholine-4-carbonyl)piperidine-2-carboxamide
CID 70865049
N-[4-(2-hydroxyethyl)phenyl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 84599579
benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 91182280
tert-butyl (2S)-2-[[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 39683346
methyl N-[(2S)-1-[(2S)-2-[[4-[(2R,5R)-5-[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 59616621
tert-butyl (2R)-2-[(4-carbamoylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 8023967
3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 119252262
(2R)-1-carbamimidoyl-N-(4-decylphenyl)pyrrolidine-2-carboxamide
CID 118734406
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(morpholine-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl N-tert-butylcarbamate?
The IUPAC name of 2-[4-[[1-(morpholine-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl N-tert-butylcarbamate (CID 175609498) is 2-[4-[[1-(morpholine-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-[4-[[1-(morpholine-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-[4-[[1-(morpholine-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl N-tert-butylcarbamate is CC(C)(C)NC(=O)OCCc1ccc(NC(=O)C2CCCN2C(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-[4-[[1-(morpholine-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl N-tert-butylcarbamate?
The InChIKey is MJRGXWBWGSMYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O5/c1-23(2,3)25-21(29)32-14-10-17-6-8-18(9-7-17)24-20(28)19-5-4-11-27(19)22(30)26-12-15-31-16-13-26/h6-9,19H,4-5,10-16H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of 2-[4-[[1-(morpholine-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl N-tert-butylcarbamate?
2-[4-[[1-(morpholine-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl N-tert-butylcarbamate has a molecular weight of 446.55 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(morpholine-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethyl N-tert-butylcarbamate is sourced from PubChem (CID 175609498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).