N-[(2S)-1-(benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]furan-2-carboxamide

C19H20N4O3 — CID 126601811

IUPACN-[(2S)-1-(benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESO=C(N[C@@H](CCn1ccnc1)C(=O)NCc1ccccc1)c1ccco1
InChIInChI=1S/C19H20N4O3/c24-18(21-13-15-5-2-1-3-6-15)16(8-10-23-11-9-20-14-23)22-19(25)17-7-4-12-26-17/h1-7,9,11-12,14,16H,8,10,13H2,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyANSQZNRROVLCQA-INIZCTEOSA-N
MW352.39 g/mol
LogP1.98
Rot. Bonds8

About N-[(2S)-1-(benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]furan-2-carboxamide

N-[(2S)-1-(benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 126601811) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[(2S)-1-(benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID126601811
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[(2S)-1-(benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESO=C(N[C@@H](CCn1ccnc1)C(=O)NCc1ccccc1)c1ccco1
InChIInChI=1S/C19H20N4O3/c24-18(21-13-15-5-2-1-3-6-15)16(8-10-23-11-9-20-14-23)22-19(25)17-7-4-12-26-17/h1-7,9,11-12,14,16H,8,10,13H2,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyANSQZNRROVLCQA-INIZCTEOSA-N
XLogP1.98
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-(benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]furan-2-carboxamide (CID 126601811) is N-[(2S)-1-(benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]furan-2-carboxamide is O=C(N[C@@H](CCn1ccnc1)C(=O)NCc1ccccc1)c1ccco1.
What is the InChIKey of N-[(2S)-1-(benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is ANSQZNRROVLCQA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-18(21-13-15-5-2-1-3-6-15)16(8-10-23-11-9-20-14-23)22-19(25)17-7-4-12-26-17/h1-7,9,11-12,14,16H,8,10,13H2,(H,21,24)(H,22,25)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[(2S)-1-(benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 126601811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).