N-[4,4,5-trimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]morpholine-4-carboxamide

C19H33N3O5 — CID 90878407

IUPACN-[4,4,5-trimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]morpholine-4-carboxamide
SMILESCC(C)C(C)(C)CC(NC(=O)N1CCOCC1)C(=O)N[C@@H]1C(=O)CO[C@H]1C
InChIInChI=1S/C19H33N3O5/c1-12(2)19(4,5)10-14(20-18(25)22-6-8-26-9-7-22)17(24)21-16-13(3)27-11-15(16)23/h12-14,16H,6-11H2,1-5H3,(H,20,25)(H,21,24)/t13-,14?,16-/m0/s1
InChIKeyOXHPFGAQIGYAKD-SFIRGFGWSA-N
MW383.49 g/mol
LogP0.94
Rot. Bonds6

About N-[4,4,5-trimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]morpholine-4-carboxamide

N-[4,4,5-trimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]morpholine-4-carboxamide (PubChem CID 90878407) has the molecular formula C19H33N3O5 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[4,4,5-trimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4,4,5-trimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]morpholine-4-carboxamide
PubChem CID90878407
Molecular FormulaC19H33N3O5
Molecular Weight383.49 g/mol
Exact Mass383.24
IUPAC NameN-[4,4,5-trimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]morpholine-4-carboxamide
SMILESCC(C)C(C)(C)CC(NC(=O)N1CCOCC1)C(=O)N[C@@H]1C(=O)CO[C@H]1C
InChIInChI=1S/C19H33N3O5/c1-12(2)19(4,5)10-14(20-18(25)22-6-8-26-9-7-22)17(24)21-16-13(3)27-11-15(16)23/h12-14,16H,6-11H2,1-5H3,(H,20,25)(H,21,24)/t13-,14?,16-/m0/s1
InChIKeyOXHPFGAQIGYAKD-SFIRGFGWSA-N
XLogP0.94
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 91114761
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
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-propan-2-ylmorpholine-4-carboxamide
CID 3411412
2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide
CID 90757931
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
3-methoxy-2-(morpholine-4-carbonylamino)propanoic acid
CID 81077004
tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate
CID 80979649

Frequently Asked Questions

What is the IUPAC name of N-[4,4,5-trimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[4,4,5-trimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]morpholine-4-carboxamide (CID 90878407) is N-[4,4,5-trimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4,4,5-trimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[4,4,5-trimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]morpholine-4-carboxamide is CC(C)C(C)(C)CC(NC(=O)N1CCOCC1)C(=O)N[C@@H]1C(=O)CO[C@H]1C.
What is the InChIKey of N-[4,4,5-trimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]morpholine-4-carboxamide?
The InChIKey is OXHPFGAQIGYAKD-SFIRGFGWSA-N. The full InChI is InChI=1S/C19H33N3O5/c1-12(2)19(4,5)10-14(20-18(25)22-6-8-26-9-7-22)17(24)21-16-13(3)27-11-15(16)23/h12-14,16H,6-11H2,1-5H3,(H,20,25)(H,21,24)/t13-,14?,16-/m0/s1.
What are the key properties of N-[4,4,5-trimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]morpholine-4-carboxamide?
N-[4,4,5-trimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]morpholine-4-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,4,5-trimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 90878407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).