N-[(2S)-1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

C17H27N3O4 — CID 2650177

IUPACN-[(2S)-1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)[C@@H](NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C17H27N3O4/c1-6-20(10-14(21)18-12(4)5)17(23)15(11(2)3)19-16(22)13-8-7-9-24-13/h7-9,11-12,15H,6,10H2,1-5H3,(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeyLUJWNLQEXOLJPQ-HNNXBMFYSA-N
MW337.42 g/mol
LogP1.41
Rot. Bonds8

About N-[(2S)-1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[(2S)-1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 2650177) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(2S)-1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID2650177
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC NameN-[(2S)-1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCCN(CC(=O)NC(C)C)C(=O)[C@@H](NC(=O)c1ccco1)C(C)C
InChIInChI=1S/C17H27N3O4/c1-6-20(10-14(21)18-12(4)5)17(23)15(11(2)3)19-16(22)13-8-7-9-24-13/h7-9,11-12,15H,6,10H2,1-5H3,(H,18,21)(H,19,22)/t15-/m0/s1
InChIKeyLUJWNLQEXOLJPQ-HNNXBMFYSA-N
XLogP1.41
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-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-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 2650177) is N-[(2S)-1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is CCN(CC(=O)NC(C)C)C(=O)[C@@H](NC(=O)c1ccco1)C(C)C.
What is the InChIKey of N-[(2S)-1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is LUJWNLQEXOLJPQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-6-20(10-14(21)18-12(4)5)17(23)15(11(2)3)19-16(22)13-8-7-9-24-13/h7-9,11-12,15H,6,10H2,1-5H3,(H,18,21)(H,19,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[(2S)-1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 2650177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).