tert-butyl N-[3-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylcarbamoyl]phenyl]carbamate

C25H31N3O5 — CID 55894717

IUPACtert-butyl N-[3-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylcarbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)c1
InChIInChI=1S/C25H31N3O5/c1-25(2,3)33-24(31)28-20-6-4-5-18(15-20)23(30)26-14-13-17-7-11-21(12-8-17)32-16-22(29)27-19-9-10-19/h4-8,11-12,15,19H,9-10,13-14,16H2,1-3H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyNHLKPQPVLUZMJT-UHFFFAOYSA-N
MW453.54 g/mol
LogP3.66
Rot. Bonds9

About tert-butyl N-[3-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylcarbamoyl]phenyl]carbamate

tert-butyl N-[3-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylcarbamoyl]phenyl]carbamate (PubChem CID 55894717) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is tert-butyl N-[3-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylcarbamoyl]phenyl]carbamate
PubChem CID55894717
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC Nametert-butyl N-[3-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylcarbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)c1
InChIInChI=1S/C25H31N3O5/c1-25(2,3)33-24(31)28-20-6-4-5-18(15-20)23(30)26-14-13-17-7-11-21(12-8-17)32-16-22(29)27-19-9-10-19/h4-8,11-12,15,19H,9-10,13-14,16H2,1-3H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyNHLKPQPVLUZMJT-UHFFFAOYSA-N
XLogP3.66
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylcarbamoyl]phenyl]carbamate with MolForge

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Related Compounds

N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(difluoromethoxy)benzamide
CID 55893056
tert-butyl N-[3-[2-(4-methoxyphenoxy)ethylcarbamoyl]phenyl]carbamate
CID 8935828
tert-butyl N-[3-[[4-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoyl]phenyl]carbamate
CID 31166027
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 55893443
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-(phenylcarbamoylamino)propanamide
CID 55893945
tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate
CID 24533397
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-2-(methylamino)acetamide
CID 119741723
tert-butyl N-[3-(3-methylbutylcarbamoyl)phenyl]carbamate
CID 27667153
N-[2-(4-aminophenyl)ethyl]-3-(cyclopropylcarbamoylamino)benzamide;hydrochloride
CID 119549671
N-cyclopropyl-3-[[2-(3-ethylphenoxy)acetyl]amino]benzamide
CID 26993706
(2R)-2-amino-N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide
CID 119299388
tert-butyl N-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]carbamate
CID 7669388

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylcarbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylcarbamoyl]phenyl]carbamate (CID 55894717) is tert-butyl N-[3-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylcarbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylcarbamoyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)c1.
What is the InChIKey of tert-butyl N-[3-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylcarbamoyl]phenyl]carbamate?
The InChIKey is NHLKPQPVLUZMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-25(2,3)33-24(31)28-20-6-4-5-18(15-20)23(30)26-14-13-17-7-11-21(12-8-17)32-16-22(29)27-19-9-10-19/h4-8,11-12,15,19H,9-10,13-14,16H2,1-3H3,(H,26,30)(H,27,29)(H,28,31).
What are the key properties of tert-butyl N-[3-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylcarbamoyl]phenyl]carbamate?
tert-butyl N-[3-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylcarbamoyl]phenyl]carbamate has a molecular weight of 453.54 g/mol, XLogP of 3.66, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 55894717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).