N-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

C19H31N3O3 — CID 94177612

IUPACN-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC1CCN([C@H](CNC(=O)[C@@H](C)NC(=O)c2ccoc2)C(C)C)CC1
InChIInChI=1S/C19H31N3O3/c1-13(2)17(22-8-5-14(3)6-9-22)11-20-18(23)15(4)21-19(24)16-7-10-25-12-16/h7,10,12-15,17H,5-6,8-9,11H2,1-4H3,(H,20,23)(H,21,24)/t15-,17-/m1/s1
InChIKeyDVQFMNAMGGIRBI-NVXWUHKLSA-N
MW349.48 g/mol
LogP2.27
Rot. Bonds7

About N-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 94177612) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID94177612
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC1CCN([C@H](CNC(=O)[C@@H](C)NC(=O)c2ccoc2)C(C)C)CC1
InChIInChI=1S/C19H31N3O3/c1-13(2)17(22-8-5-14(3)6-9-22)11-20-18(23)15(4)21-19(24)16-7-10-25-12-16/h7,10,12-15,17H,5-6,8-9,11H2,1-4H3,(H,20,23)(H,21,24)/t15-,17-/m1/s1
InChIKeyDVQFMNAMGGIRBI-NVXWUHKLSA-N
XLogP2.27
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-fluoro-2-[[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]carbamoyl]phenyl]furan-3-carboxamide
CID 51964743
N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120653406
2-hydroxy-N-[(2R)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 39111251
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119527496
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
N-[1-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 110898699
N-[1-(oxan-3-ylmethylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 47342208
N-[(2R)-1-[[(3S)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94196075
N-[(2R)-1-[[(3R)-oxan-3-yl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94196077
N-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 87012580
2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride
CID 119849811

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 94177612) is N-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is CC1CCN([C@H](CNC(=O)[C@@H](C)NC(=O)c2ccoc2)C(C)C)CC1.
What is the InChIKey of N-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is DVQFMNAMGGIRBI-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-13(2)17(22-8-5-14(3)6-9-22)11-20-18(23)15(4)21-19(24)16-7-10-25-12-16/h7,10,12-15,17H,5-6,8-9,11H2,1-4H3,(H,20,23)(H,21,24)/t15-,17-/m1/s1.
What are the key properties of N-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 94177612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).