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

C15H22N2O4 — CID 71505026

IUPACtert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
SMILESCOc1ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)17-10-9-16-13(18)11-5-7-12(20-4)8-6-11/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyYQAOYCJVHOTMSN-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.95
Rot. Bonds5

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

tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate (PubChem CID 71505026) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
PubChem CID71505026
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate
SMILESCOc1ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)17-10-9-16-13(18)11-5-7-12(20-4)8-6-11/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyYQAOYCJVHOTMSN-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
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-phenoxybenzoyl)amino]ethyl]carbamate
CID 16735191
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
tert-butyl 2-[(4-methoxybenzoyl)amino]acetate
CID 135045716
tert-butyl N-(4-methoxybenzoyl)carbamate
CID 14221825
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
tert-butyl N-[3-[(4-hydroxybenzoyl)amino]propyl]carbamate
CID 118973665
tert-butyl N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]carbamate
CID 165340759
tert-butyl N-[3-deuterio-2-(4-methoxyphenyl)prop-2-enyl]carbamate
CID 16687001
tert-butyl N-[2-[4-(4-methoxyphenyl)phenoxy]ethyl]carbamate
CID 139950407
N-(7,7-dimethyloctyl)-4-methoxybenzamide
CID 168820142

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate (CID 71505026) is tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate is COc1ccc(C(=O)NCCNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate?
The InChIKey is YQAOYCJVHOTMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)17-10-9-16-13(18)11-5-7-12(20-4)8-6-11/h5-8H,9-10H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(4-methoxybenzoyl)amino]ethyl]carbamate has a molecular weight of 294.35 g/mol, XLogP of 1.95, 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-[(4-methoxybenzoyl)amino]ethyl]carbamate is sourced from PubChem (CID 71505026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).