tert-butyl N-[(E)-4-(2-amino-5-carbamoylfuro[3,2-g]benzimidazol-1-yl)but-2-enyl]carbamate

C19H23N5O4 — CID 146349909

IUPACtert-butyl N-[(E)-4-(2-amino-5-carbamoylfuro[3,2-g]benzimidazol-1-yl)but-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/Cn1c(N)nc2cc(C(N)=O)c3ccoc3c21
InChIInChI=1S/C19H23N5O4/c1-19(2,3)28-18(26)22-7-4-5-8-24-14-13(23-17(24)21)10-12(16(20)25)11-6-9-27-15(11)14/h4-6,9-10H,7-8H2,1-3H3,(H2,20,25)(H2,21,23)(H,22,26)/b5-4+
InChIKeyAMCCDKOLFAEWRD-SNAWJCMRSA-N
MW385.42 g/mol
LogP2.54
Rot. Bonds5

About tert-butyl N-[(E)-4-(2-amino-5-carbamoylfuro[3,2-g]benzimidazol-1-yl)but-2-enyl]carbamate

tert-butyl N-[(E)-4-(2-amino-5-carbamoylfuro[3,2-g]benzimidazol-1-yl)but-2-enyl]carbamate (PubChem CID 146349909) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is tert-butyl N-[(E)-4-(2-amino-5-carbamoylfuro[3,2-g]benzimidazol-1-yl)but-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-4-(2-amino-5-carbamoylfuro[3,2-g]benzimidazol-1-yl)but-2-enyl]carbamate
PubChem CID146349909
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Nametert-butyl N-[(E)-4-(2-amino-5-carbamoylfuro[3,2-g]benzimidazol-1-yl)but-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NC/C=C/Cn1c(N)nc2cc(C(N)=O)c3ccoc3c21
InChIInChI=1S/C19H23N5O4/c1-19(2,3)28-18(26)22-7-4-5-8-24-14-13(23-17(24)21)10-12(16(20)25)11-6-9-27-15(11)14/h4-6,9-10H,7-8H2,1-3H3,(H2,20,25)(H2,21,23)(H,22,26)/b5-4+
InChIKeyAMCCDKOLFAEWRD-SNAWJCMRSA-N
XLogP2.54
TPSA138.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]furo[3,2-g]benzimidazol-1-yl]but-2-enylcarbamic acid
CID 146315854
tert-butyl N-[4-(4-carbamoyl-5-fluoro-2-methoxyanilino)but-2-enyl]carbamate
CID 175344554
tert-butyl N-[3-(4-carbamoylphenyl)prop-2-enyl]carbamate
CID 169467603
tert-butyl N-[3-[4-(carbamothioylamino)phenyl]prop-2-enyl]carbamate
CID 169467841
tert-butyl N-[3-(5-amino-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467247
tert-butyl N-[3-(3-amino-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169467599
tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
CID 169468523
tert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate
CID 24900747
tert-butyl N-[3-(4-amino-3-chlorophenyl)prop-2-enyl]carbamate
CID 169467176
tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
CID 169467128
tert-butyl N-[3-(5-amino-4-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169467144
tert-butyl N-[3-(2H-indazol-3-yl)prop-2-enyl]carbamate
CID 169467636

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-4-(2-amino-5-carbamoylfuro[3,2-g]benzimidazol-1-yl)but-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-4-(2-amino-5-carbamoylfuro[3,2-g]benzimidazol-1-yl)but-2-enyl]carbamate (CID 146349909) is tert-butyl N-[(E)-4-(2-amino-5-carbamoylfuro[3,2-g]benzimidazol-1-yl)but-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-4-(2-amino-5-carbamoylfuro[3,2-g]benzimidazol-1-yl)but-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-4-(2-amino-5-carbamoylfuro[3,2-g]benzimidazol-1-yl)but-2-enyl]carbamate is CC(C)(C)OC(=O)NC/C=C/Cn1c(N)nc2cc(C(N)=O)c3ccoc3c21.
What is the InChIKey of tert-butyl N-[(E)-4-(2-amino-5-carbamoylfuro[3,2-g]benzimidazol-1-yl)but-2-enyl]carbamate?
The InChIKey is AMCCDKOLFAEWRD-SNAWJCMRSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-19(2,3)28-18(26)22-7-4-5-8-24-14-13(23-17(24)21)10-12(16(20)25)11-6-9-27-15(11)14/h4-6,9-10H,7-8H2,1-3H3,(H2,20,25)(H2,21,23)(H,22,26)/b5-4+.
What are the key properties of tert-butyl N-[(E)-4-(2-amino-5-carbamoylfuro[3,2-g]benzimidazol-1-yl)but-2-enyl]carbamate?
tert-butyl N-[(E)-4-(2-amino-5-carbamoylfuro[3,2-g]benzimidazol-1-yl)but-2-enyl]carbamate has a molecular weight of 385.42 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-4-(2-amino-5-carbamoylfuro[3,2-g]benzimidazol-1-yl)but-2-enyl]carbamate is sourced from PubChem (CID 146349909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).