N-[5-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-2-morpholin-4-ylacetamide

C21H29N3O5 — CID 172660423

IUPACN-[5-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-2-morpholin-4-ylacetamide
SMILESCc1ccc(C(=O)N2C[C@H]3COC[C@@]3(CO)C2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C21H29N3O5/c1-15-2-3-16(8-18(15)22-19(26)10-23-4-6-28-7-5-23)20(27)24-9-17-11-29-14-21(17,12-24)13-25/h2-3,8,17,25H,4-7,9-14H2,1H3,(H,22,26)/t17-,21-/m0/s1
InChIKeyQTROQYVBRMCFKQ-UWJYYQICSA-N
MW403.48 g/mol
LogP0.35
Rot. Bonds5

About N-[5-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-2-morpholin-4-ylacetamide

N-[5-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-2-morpholin-4-ylacetamide (PubChem CID 172660423) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[5-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[5-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-2-morpholin-4-ylacetamide
PubChem CID172660423
Molecular FormulaC21H29N3O5
Molecular Weight403.48 g/mol
Exact Mass403.21
IUPAC NameN-[5-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-2-morpholin-4-ylacetamide
SMILESCc1ccc(C(=O)N2C[C@H]3COC[C@@]3(CO)C2)cc1NC(=O)CN1CCOCC1
InChIInChI=1S/C21H29N3O5/c1-15-2-3-16(8-18(15)22-19(26)10-23-4-6-28-7-5-23)20(27)24-9-17-11-29-14-21(17,12-24)13-25/h2-3,8,17,25H,4-7,9-14H2,1H3,(H,22,26)/t17-,21-/m0/s1
InChIKeyQTROQYVBRMCFKQ-UWJYYQICSA-N
XLogP0.35
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-2-morpholin-4-ylacetamide with MolForge

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Related Compounds

[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-[3-(2-methylphenyl)phenyl]methanone
CID 162635765
N-[5-[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 172661069
N-cyclopent-2-en-1-yl-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 172668501
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119795362
[(3aS,6aS)-3a-(morpholin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 124912729
N-(2-methylphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 175654128
3-methyl-N-[4-methyl-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 143219426
1-[4-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]phenyl]imidazolidine-2,4-dione
CID 164688436
4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide
CID 120592838
[(3aS,6aR)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(4-methoxyphenyl)methanone
CID 97420854
N-(2,5-dimethylphenyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 51291532

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[5-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-2-morpholin-4-ylacetamide (CID 172660423) is N-[5-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[5-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[5-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-2-morpholin-4-ylacetamide is Cc1ccc(C(=O)N2C[C@H]3COC[C@@]3(CO)C2)cc1NC(=O)CN1CCOCC1.
What is the InChIKey of N-[5-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-2-morpholin-4-ylacetamide?
The InChIKey is QTROQYVBRMCFKQ-UWJYYQICSA-N. The full InChI is InChI=1S/C21H29N3O5/c1-15-2-3-16(8-18(15)22-19(26)10-23-4-6-28-7-5-23)20(27)24-9-17-11-29-14-21(17,12-24)13-25/h2-3,8,17,25H,4-7,9-14H2,1H3,(H,22,26)/t17-,21-/m0/s1.
What are the key properties of N-[5-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-2-morpholin-4-ylacetamide?
N-[5-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-2-morpholin-4-ylacetamide has a molecular weight of 403.48 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]-2-methylphenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 172660423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).