N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide

C22H31N3O5 — CID 91442080

IUPACN-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide
SMILESCC(C)CC(NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1C(=O)CO[C@@H]1C
InChIInChI=1S/C22H31N3O5/c1-14(2)12-18(22(28)24-20-15(3)30-13-19(20)26)23-21(27)16-4-6-17(7-5-16)25-8-10-29-11-9-25/h4-7,14-15,18,20H,8-13H2,1-3H3,(H,23,27)(H,24,28)/t15-,18?,20+/m1/s1
InChIKeyHQFDWEWTINVXHC-BIYUGTDDSA-N
MW417.51 g/mol
LogP1.14
Rot. Bonds7

About N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide

N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide (PubChem CID 91442080) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide
PubChem CID91442080
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC NameN-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide
SMILESCC(C)CC(NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1C(=O)CO[C@@H]1C
InChIInChI=1S/C22H31N3O5/c1-14(2)12-18(22(28)24-20-15(3)30-13-19(20)26)23-21(27)16-4-6-17(7-5-16)25-8-10-29-11-9-25/h4-7,14-15,18,20H,8-13H2,1-3H3,(H,23,27)(H,24,28)/t15-,18?,20+/m1/s1
InChIKeyHQFDWEWTINVXHC-BIYUGTDDSA-N
XLogP1.14
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-pyrrolidin-1-ylbenzamide
CID 91339852
2-amino-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]benzamide
CID 90757931
4-tert-butyl-N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopent-4-en-2-yl]benzamide
CID 91112482
N-[4-methyl-1-oxo-1-[6-oxo-4-(3-oxooxolane-2-carbonyl)-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]pentan-2-yl]-4-morpholin-4-ylbenzamide
CID 68961213
N-[4-methyl-1-[[(3S,4S)-3-methyl-5-oxooxan-4-yl]amino]-1-oxopentan-2-yl]-3-piperazin-1-ylbenzamide
CID 90867349
N-[4-methyl-1-[4-(morpholine-4-carbonyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide
CID 68890091
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
N-[4,4-dimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 91114761
N-[4,4,5-trimethyl-1-[[(2S,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]morpholine-4-carboxamide
CID 90878407
N-[(2S)-1-[[(3R)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxohexan-2-yl]furan-3-carboxamide
CID 67075324
N-[(2S)-1-(5-benzoyl-2-methyl-3-oxo-1,5-diazocan-1-yl)-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide
CID 71025862
N-[1-[4-(2-hydroxy-3-methylpentanoyl)-6-oxo-3,3a,5,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-4-methyl-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide
CID 68889983

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide?
The IUPAC name of N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide (CID 91442080) is N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide is CC(C)CC(NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1C(=O)CO[C@@H]1C.
What is the InChIKey of N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide?
The InChIKey is HQFDWEWTINVXHC-BIYUGTDDSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-14(2)12-18(22(28)24-20-15(3)30-13-19(20)26)23-21(27)16-4-6-17(7-5-16)25-8-10-29-11-9-25/h4-7,14-15,18,20H,8-13H2,1-3H3,(H,23,27)(H,24,28)/t15-,18?,20+/m1/s1.
What are the key properties of N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide?
N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide has a molecular weight of 417.51 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-1-[[(2R,3S)-2-methyl-4-oxooxolan-3-yl]amino]-1-oxopentan-2-yl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 91442080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).