N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide

C17H29N3O5 — CID 91114761

IUPACN-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESC[C@@H]1OCC(=O)[C@H]1NC(=O)C(CC(C)(C)C)NC(=O)N1CCOCC1
InChIInChI=1S/C17H29N3O5/c1-11-14(13(21)10-25-11)19-15(22)12(9-17(2,3)4)18-16(23)20-5-7-24-8-6-20/h11-12,14H,5-10H2,1-4H3,(H,18,23)(H,19,22)/t11-,12?,14-/m0/s1
InChIKeyGJSQQRZWMQRWLP-PSIKVXPXSA-N
MW355.44 g/mol
LogP0.31
Rot. Bonds4

About N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide

N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide (PubChem CID 91114761) has the molecular formula C17H29N3O5 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide
PubChem CID91114761
Molecular FormulaC17H29N3O5
Molecular Weight355.44 g/mol
Exact Mass355.21
IUPAC NameN-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide
SMILESC[C@@H]1OCC(=O)[C@H]1NC(=O)C(CC(C)(C)C)NC(=O)N1CCOCC1
InChIInChI=1S/C17H29N3O5/c1-11-14(13(21)10-25-11)19-15(22)12(9-17(2,3)4)18-16(23)20-5-7-24-8-6-20/h11-12,14H,5-10H2,1-4H3,(H,18,23)(H,19,22)/t11-,12?,14-/m0/s1
InChIKeyGJSQQRZWMQRWLP-PSIKVXPXSA-N
XLogP0.31
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,4,5-trimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]morpholine-4-carboxamide
CID 90878407
N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-2-methylfuran-3-carboxamide
CID 91117543
methyl 4,4-dimethyl-2-(morpholine-4-carbonylamino)pentanoate
CID 69416705
N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide
CID 91442080
[3-cyclohexyl-1-[[(2S,3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 158533309
N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-pyrrolidin-1-ylbenzamide
CID 91339852
(2S)-2-(1-benzofuran-2-ylsulfonylamino)-4,4-dimethyl-N-[(2S,3S)-2-methyl-4-oxooxolan-3-yl]pentanamide
CID 91121558
N-[1-[(4-cyano-1-methyl-2-oxopiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 22260579
N-[1-[[4-cyano-1-(morpholine-4-carbonyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 86585198
N-[1-[(4-cyano-1-propylpiperidin-4-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 22260467
N-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide
CID 67075324
2-(morpholine-4-carbonylamino)butanoic acid
CID 61187325

Frequently Asked Questions

What is the IUPAC name of N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide (CID 91114761) is N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide is C[C@@H]1OCC(=O)[C@H]1NC(=O)C(CC(C)(C)C)NC(=O)N1CCOCC1.
What is the InChIKey of N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide?
The InChIKey is GJSQQRZWMQRWLP-PSIKVXPXSA-N. The full InChI is InChI=1S/C17H29N3O5/c1-11-14(13(21)10-25-11)19-15(22)12(9-17(2,3)4)18-16(23)20-5-7-24-8-6-20/h11-12,14H,5-10H2,1-4H3,(H,18,23)(H,19,22)/t11-,12?,14-/m0/s1.
What are the key properties of N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide?
N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 91114761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).