N-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

C18H29N3O4 — CID 87012580

IUPACN-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)C(C)NC(=O)c2ccoc2)CC(C)O1
InChIInChI=1S/C18H29N3O4/c1-12-8-21(9-13(2)25-12)18(4,5)11-19-16(22)14(3)20-17(23)15-6-7-24-10-15/h6-7,10,12-14H,8-9,11H2,1-5H3,(H,19,22)(H,20,23)
InChIKeyTYTHRPHYFGMLGA-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.40
Rot. Bonds6

About N-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 87012580) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID87012580
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC NameN-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC1CN(C(C)(C)CNC(=O)C(C)NC(=O)c2ccoc2)CC(C)O1
InChIInChI=1S/C18H29N3O4/c1-12-8-21(9-13(2)25-12)18(4,5)11-19-16(22)14(3)20-17(23)15-6-7-24-10-15/h6-7,10,12-14H,8-9,11H2,1-5H3,(H,19,22)(H,20,23)
InChIKeyTYTHRPHYFGMLGA-UHFFFAOYSA-N
XLogP1.40
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide with MolForge

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Related Compounds

N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-3-carboxamide
CID 29302140
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-3-carboxamide
CID 29302135
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005
N-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 98691531
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 47019977
N-[1-oxo-1-(3-phenylbutylamino)propan-2-yl]furan-3-carboxamide
CID 51103926
N-[(2R)-1-[[(2S)-3-methyl-2-(4-methylpiperidin-1-yl)butyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 94177612
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-2-carboxamide
CID 29297646
N-[1-[[(2R)-2-(ethylamino)propyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide;hydrochloride
CID 120653406
2-[2-(furan-3-carbonylamino)propanoylamino]-2-methylbutanoic acid
CID 119199037
(2S)-2-amino-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-4-methylpentanamide
CID 119839592
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 87012580) is N-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is CC1CN(C(C)(C)CNC(=O)C(C)NC(=O)c2ccoc2)CC(C)O1.
What is the InChIKey of N-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is TYTHRPHYFGMLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-12-8-21(9-13(2)25-12)18(4,5)11-19-16(22)14(3)20-17(23)15-6-7-24-10-15/h6-7,10,12-14H,8-9,11H2,1-5H3,(H,19,22)(H,20,23).
What are the key properties of N-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 87012580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).