N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-5-phenylfuran-2-carboxamide

C21H23N3O3 — CID 91800694

IUPACN-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-5-phenylfuran-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)o1)C(=O)NC1(C#N)CC1
InChIInChI=1S/C21H23N3O3/c1-14(2)12-16(19(25)24-21(13-22)10-11-21)23-20(26)18-9-8-17(27-18)15-6-4-3-5-7-15/h3-9,14,16H,10-12H2,1-2H3,(H,23,26)(H,24,25)/t16-/m0/s1
InChIKeyARNUDELAPAGENV-INIZCTEOSA-N
MW365.43 g/mol
LogP3.26
Rot. Bonds7

About N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-5-phenylfuran-2-carboxamide

N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-5-phenylfuran-2-carboxamide (PubChem CID 91800694) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-5-phenylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-5-phenylfuran-2-carboxamide
PubChem CID91800694
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-5-phenylfuran-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)o1)C(=O)NC1(C#N)CC1
InChIInChI=1S/C21H23N3O3/c1-14(2)12-16(19(25)24-21(13-22)10-11-21)23-20(26)18-9-8-17(27-18)15-6-4-3-5-7-15/h3-9,14,16H,10-12H2,1-2H3,(H,23,26)(H,24,25)/t16-/m0/s1
InChIKeyARNUDELAPAGENV-INIZCTEOSA-N
XLogP3.26
TPSA95.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-5-phenylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-5-phenylfuran-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-5-phenylfuran-2-carboxamide (CID 91800694) is N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-5-phenylfuran-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-5-phenylfuran-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-5-phenylfuran-2-carboxamide is CC(C)C[C@H](NC(=O)c1ccc(-c2ccccc2)o1)C(=O)NC1(C#N)CC1.
What is the InChIKey of N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-5-phenylfuran-2-carboxamide?
The InChIKey is ARNUDELAPAGENV-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(2)12-16(19(25)24-21(13-22)10-11-21)23-20(26)18-9-8-17(27-18)15-6-4-3-5-7-15/h3-9,14,16H,10-12H2,1-2H3,(H,23,26)(H,24,25)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-5-phenylfuran-2-carboxamide?
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-5-phenylfuran-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-5-phenylfuran-2-carboxamide is sourced from PubChem (CID 91800694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).