tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate

C20H24N2O4 — CID 16735191

IUPACtert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)22-14-13-21-18(23)15-9-11-17(12-10-15)25-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyLMPHPKSPRAEDSP-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.73
Rot. Bonds6

About tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate

tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate (PubChem CID 16735191) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate
PubChem CID16735191
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Nametert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)22-14-13-21-18(23)15-9-11-17(12-10-15)25-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyLMPHPKSPRAEDSP-UHFFFAOYSA-N
XLogP3.73
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
CID 71505026
tert-butyl-[3-[(4-phenoxybenzoyl)amino]propyl]azanium
CID 9089830
tert-butyl N-[4-(2-phenoxyethylcarbamoyl)phenyl]carbamate
CID 27758271
tert-butyl N-[3-(3-benzamidopropylamino)-3-oxopropyl]carbamate
CID 108921630
tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate
CID 118973665
4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 4825822
tert-butyl N-[5-[(4-phenoxyphenyl)sulfonylamino]pentyl]carbamate
CID 66727891
tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
4-tert-butyl-N'-(4-phenoxybenzoyl)benzohydrazide
CID 7980024
tert-butyl N-benzyl-N-[[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoyl]phenyl]methoxy]carbamate
CID 46184080
tert-butyl N-[4-[2-[(4-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl]carbamate
CID 55736690

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate (CID 16735191) is tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate?
The InChIKey is LMPHPKSPRAEDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)22-14-13-21-18(23)15-9-11-17(12-10-15)25-16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate has a molecular weight of 356.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4-phenoxybenzoyl)amino]ethyl]carbamate is sourced from PubChem (CID 16735191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).