tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate

C16H21N3O4 — CID 104932643

IUPACtert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C16H21N3O4/c1-16(2,3)23-15(21)19-7-6-18-14(20)13-9-10-8-11(17)4-5-12(10)22-13/h4-5,8-9H,6-7,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyUCWCRQWQKIRZKK-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.27
Rot. Bonds4

About tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate

tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate (PubChem CID 104932643) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate
PubChem CID104932643
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Nametert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C16H21N3O4/c1-16(2,3)23-15(21)19-7-6-18-14(20)13-9-10-8-11(17)4-5-12(10)22-13/h4-5,8-9H,6-7,17H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyUCWCRQWQKIRZKK-UHFFFAOYSA-N
XLogP2.27
TPSA106.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.27
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-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide
CID 61095225
5-amino-N-octyl-1-benzofuran-2-carboxamide
CID 115565943
5-amino-N-tert-butyl-1-benzofuran-2-carboxamide
CID 61092383
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]-1-benzofuran-2-carboxylic acid
CID 170491246
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
tert-butyl N-[2-[(5-amino-2-methoxybenzoyl)amino]ethyl]carbamate
CID 104932681
5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102903170
5-amino-N-benzyl-1-benzofuran-2-carboxamide
CID 61089712
tert-butyl N-[3-[(5-amino-1-benzofuran-2-carbonyl)amino]-4-(2-chloroethyl)naphthalen-1-yl]carbamate
CID 70036797
5-amino-N-(2-pyrazol-1-ylethyl)-1-benzofuran-2-carboxamide
CID 61459996
tert-butyl N-[3-[[2-(4-aminophenyl)acetyl]amino]propyl]carbamate
CID 104932589
methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]propanoate
CID 61496788

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate (CID 104932643) is tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate?
The InChIKey is UCWCRQWQKIRZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-16(2,3)23-15(21)19-7-6-18-14(20)13-9-10-8-11(17)4-5-12(10)22-13/h4-5,8-9H,6-7,17H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(5-amino-1-benzofuran-2-carbonyl)amino]ethyl]carbamate has a molecular weight of 319.36 g/mol, XLogP of 2.27, 4 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-1-benzofuran-2-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 104932643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).