tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate

C15H23N3O4 — CID 104932681

IUPACtert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate
SMILESCOc1ccc(N)cc1C(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18-8-7-17-13(19)11-9-10(16)5-6-12(11)21-4/h5-6,9H,7-8,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyNYWXJKNWNCTMSZ-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.53
Rot. Bonds5

About tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate

tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate (PubChem CID 104932681) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate
PubChem CID104932681
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Nametert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate
SMILESCOc1ccc(N)cc1C(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18-8-7-17-13(19)11-9-10(16)5-6-12(11)21-4/h5-6,9H,7-8,16H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyNYWXJKNWNCTMSZ-UHFFFAOYSA-N
XLogP1.53
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-hydroxybutyl)-2-methoxybenzamide
CID 106840078
5-amino-N-[2-(2-hydroxyethoxy)ethyl]-2-methoxybenzamide
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5-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62634324
5-amino-2-methoxy-N-(2-pyridin-4-ylethyl)benzamide
CID 61104069
5-amino-2-methoxy-N-(3-propoxypropyl)benzamide
CID 82949458
5-amino-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 61091450
5-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62975328
5-amino-N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzamide
CID 61092730
tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate
CID 104932643
5-amino-2-methoxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106289101
tert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate
CID 22981126
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 107229452

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate (CID 104932681) is tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate is COc1ccc(N)cc1C(=O)NCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate?
The InChIKey is NYWXJKNWNCTMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18-8-7-17-13(19)11-9-10(16)5-6-12(11)21-4/h5-6,9H,7-8,16H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate has a molecular weight of 309.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate is sourced from PubChem (CID 104932681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).