tert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate

C26H32N4O5 — CID 145482017

IUPACtert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C26H32N4O5/c1-26(2,3)35-25(34)29-21-9-5-4-8-20(21)28-24(33)19-13-11-18(12-14-19)23(32)27-15-7-17-30-16-6-10-22(30)31/h4-5,8-9,11-14H,6-7,10,15-17H2,1-3H3,(H,27,32)(H,28,33)(H,29,34)
InChIKeyOKNXTNAJRIONFE-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.03
Rot. Bonds8

About tert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate

tert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate (PubChem CID 145482017) has the molecular formula C26H32N4O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is tert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate
PubChem CID145482017
Molecular FormulaC26H32N4O5
Molecular Weight480.57 g/mol
Exact Mass480.24
IUPAC Nametert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C26H32N4O5/c1-26(2,3)35-25(34)29-21-9-5-4-8-20(21)28-24(33)19-13-11-18(12-14-19)23(32)27-15-7-17-30-16-6-10-22(30)31/h4-5,8-9,11-14H,6-7,10,15-17H2,1-3H3,(H,27,32)(H,28,33)(H,29,34)
InChIKeyOKNXTNAJRIONFE-UHFFFAOYSA-N
XLogP4.03
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[[4-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58001206
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 86983246
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
4-[4-(2-methylphenyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 71224768
tert-butyl N-[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930614
tert-butyl N-[2-[[4-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58001102
3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 30482762
N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 130372707
tert-butyl 4-[2-amino-4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]piperazine-1-carboxylate
CID 89394489

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate (CID 145482017) is tert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(C(=O)NCCCN2CCCC2=O)cc1.
What is the InChIKey of tert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate?
The InChIKey is OKNXTNAJRIONFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5/c1-26(2,3)35-25(34)29-21-9-5-4-8-20(21)28-24(33)19-13-11-18(12-14-19)23(32)27-15-7-17-30-16-6-10-22(30)31/h4-5,8-9,11-14H,6-7,10,15-17H2,1-3H3,(H,27,32)(H,28,33)(H,29,34).
What are the key properties of tert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate?
tert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate has a molecular weight of 480.57 g/mol, XLogP of 4.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[4-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]benzoyl]amino]phenyl]carbamate is sourced from PubChem (CID 145482017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).