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

C17H27N3O4 — CID 4884407

IUPACN-[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(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)
InChIKeyLUJWNLQEXOLJPQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.41
Rot. Bonds8

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

N-[1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 4884407) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID4884407
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC NameN-[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(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)
InChIKeyLUJWNLQEXOLJPQ-UHFFFAOYSA-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-[1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
CID 51156967
N-[(2S)-1-[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 55943008
N-[4-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 51205488
N-[1-[ethyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 60653730
N-[(2S)-1-[[4-(dimethylamino)phenyl]methyl-methylamino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 34746254
2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide
CID 60937764
(E)-N-ethyl-3-(furan-2-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide
CID 18155626
N-[1-(1-hydroxybutan-2-ylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 110878208
[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 71889032
N-[(2S)-1-[[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 52519417
N-[3-methyl-1-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 4878873
N-[1-(methoxyamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51279310

Frequently Asked Questions

What is the IUPAC name of N-[1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 4884407) is N-[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-[1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[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(NC(=O)c1ccco1)C(C)C.
What is the InChIKey of N-[1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is LUJWNLQEXOLJPQ-UHFFFAOYSA-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).
What are the key properties of N-[1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[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-[1-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 4884407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).