tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate

C15H22N2O4 — CID 65143006

IUPACtert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate
SMILESCOCCNC(=O)c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)17-12-8-6-5-7-11(12)13(18)16-9-10-20-4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyPRJAUCXKJFSEQR-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.41
Rot. Bonds5

About tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate

tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate (PubChem CID 65143006) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate
PubChem CID65143006
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate
SMILESCOCCNC(=O)c1ccccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)17-12-8-6-5-7-11(12)13(18)16-9-10-20-4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyPRJAUCXKJFSEQR-UHFFFAOYSA-N
XLogP2.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.41
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-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate
CID 90291485
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
3-[2-(2-methoxyethylcarbamoyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114897363
2-[[2-(methanesulfonamido)benzoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2230013
2-anilino-N-(2-methoxyethyl)benzamide
CID 27659255
2-[3-(4-tert-butylphenyl)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 41455603
tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092
2-[(4-acetamidobenzoyl)amino]-N-(2-methoxyethyl)benzamide
CID 34762470
2-(3-aminobutanoylamino)-N-(2-methoxyethyl)benzamide
CID 60836653
N-[2-(2-methoxyethylcarbamoyl)phenyl]-3,4-dimethylbenzamide
CID 100592155
N-(2-methoxyethyl)-2-(3-phenylpropanoylamino)benzamide
CID 2206654
2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-(2-methoxyethyl)benzamide
CID 40715780

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate (CID 65143006) is tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate is COCCNC(=O)c1ccccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate?
The InChIKey is PRJAUCXKJFSEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)17-12-8-6-5-7-11(12)13(18)16-9-10-20-4/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate?
tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methoxyethylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 65143006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).