tert-butyl N-[3-[(2-naphthalen-2-yloxypropanoylamino)carbamoyl]phenyl]carbamate

C25H27N3O5 — CID 46664059

IUPACtert-butyl N-[3-[(2-naphthalen-2-yloxypropanoylamino)carbamoyl]phenyl]carbamate
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C25H27N3O5/c1-16(32-21-13-12-17-8-5-6-9-18(17)15-21)22(29)27-28-23(30)19-10-7-11-20(14-19)26-24(31)33-25(2,3)4/h5-16H,1-4H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyJXVQUQLHMYNADD-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.42
Rot. Bonds5

About tert-butyl N-[3-[(2-naphthalen-2-yloxypropanoylamino)carbamoyl]phenyl]carbamate

tert-butyl N-[3-[(2-naphthalen-2-yloxypropanoylamino)carbamoyl]phenyl]carbamate (PubChem CID 46664059) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is tert-butyl N-[3-[(2-naphthalen-2-yloxypropanoylamino)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2-naphthalen-2-yloxypropanoylamino)carbamoyl]phenyl]carbamate
PubChem CID46664059
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC Nametert-butyl N-[3-[(2-naphthalen-2-yloxypropanoylamino)carbamoyl]phenyl]carbamate
SMILESCC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C25H27N3O5/c1-16(32-21-13-12-17-8-5-6-9-18(17)15-21)22(29)27-28-23(30)19-10-7-11-20(14-19)26-24(31)33-25(2,3)4/h5-16H,1-4H3,(H,26,31)(H,27,29)(H,28,30)
InChIKeyJXVQUQLHMYNADD-UHFFFAOYSA-N
XLogP4.42
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[[2-(2,3-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]carbamate
CID 55388487
3-[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]benzamide
CID 95706030
3-ethoxy-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]benzohydrazide
CID 9294538
N'-[(2S)-2-naphthalen-2-yloxypropanoyl]-4-(trifluoromethyl)benzohydrazide
CID 27813982
(2S)-N-(3-acetamidophenyl)-2-naphthalen-2-yloxypropanamide
CID 42561585
tert-butyl N-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]phenyl]carbamate
CID 9191948
1-(3-chlorophenyl)-3-[[(2R)-2-naphthalen-2-yloxypropanoyl]amino]urea
CID 8757601
tert-butyl N-[3-[[[2-(2-fluorophenyl)sulfanylacetyl]amino]carbamoyl]phenyl]carbamate
CID 9157247
tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
CID 51204750
tert-butyl N-[3-[[(3-nitrobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 27662819
N'-(2-naphthalen-2-yloxypropanoyl)-1,3-benzodioxole-5-carbohydrazide
CID 43003657
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2-naphthalen-2-yloxypropanoylamino)carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(2-naphthalen-2-yloxypropanoylamino)carbamoyl]phenyl]carbamate (CID 46664059) is tert-butyl N-[3-[(2-naphthalen-2-yloxypropanoylamino)carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(2-naphthalen-2-yloxypropanoylamino)carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(2-naphthalen-2-yloxypropanoylamino)carbamoyl]phenyl]carbamate is CC(Oc1ccc2ccccc2c1)C(=O)NNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[3-[(2-naphthalen-2-yloxypropanoylamino)carbamoyl]phenyl]carbamate?
The InChIKey is JXVQUQLHMYNADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-16(32-21-13-12-17-8-5-6-9-18(17)15-21)22(29)27-28-23(30)19-10-7-11-20(14-19)26-24(31)33-25(2,3)4/h5-16H,1-4H3,(H,26,31)(H,27,29)(H,28,30).
What are the key properties of tert-butyl N-[3-[(2-naphthalen-2-yloxypropanoylamino)carbamoyl]phenyl]carbamate?
tert-butyl N-[3-[(2-naphthalen-2-yloxypropanoylamino)carbamoyl]phenyl]carbamate has a molecular weight of 449.51 g/mol, XLogP of 4.42, 5 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-naphthalen-2-yloxypropanoylamino)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 46664059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).