N-[(1R,2R)-1-[4-(cyclopropylmethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide

C28H36N2O3 — CID 122445044

IUPACN-[(1R,2R)-1-[4-(cyclopropylmethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESO=C(CC1Cc2ccccc2C1)N[C@H](CN1CCCC1)[C@H](O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C28H36N2O3/c31-27(17-21-15-23-5-1-2-6-24(23)16-21)29-26(18-30-13-3-4-14-30)28(32)22-9-11-25(12-10-22)33-19-20-7-8-20/h1-2,5-6,9-12,20-21,26,28,32H,3-4,7-8,13-19H2,(H,29,31)/t26-,28-/m1/s1
InChIKeySVAHPDAGMJVRLL-IXCJQBJRSA-N
MW448.61 g/mol
LogP3.89
Rot. Bonds10

About N-[(1R,2R)-1-[4-(cyclopropylmethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide

N-[(1R,2R)-1-[4-(cyclopropylmethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide (PubChem CID 122445044) has the molecular formula C28H36N2O3 and a molecular weight of 448.61 g/mol. Its IUPAC name is N-[(1R,2R)-1-[4-(cyclopropylmethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-[4-(cyclopropylmethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide
PubChem CID122445044
Molecular FormulaC28H36N2O3
Molecular Weight448.61 g/mol
Exact Mass448.27
IUPAC NameN-[(1R,2R)-1-[4-(cyclopropylmethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide
SMILESO=C(CC1Cc2ccccc2C1)N[C@H](CN1CCCC1)[C@H](O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C28H36N2O3/c31-27(17-21-15-23-5-1-2-6-24(23)16-21)29-26(18-30-13-3-4-14-30)28(32)22-9-11-25(12-10-22)33-19-20-7-8-20/h1-2,5-6,9-12,20-21,26,28,32H,3-4,7-8,13-19H2,(H,29,31)/t26-,28-/m1/s1
InChIKeySVAHPDAGMJVRLL-IXCJQBJRSA-N
XLogP3.89
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R)-1-[4-(cyclopropylmethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-[4-(cyclopropylmethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
The IUPAC name of N-[(1R,2R)-1-[4-(cyclopropylmethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide (CID 122445044) is N-[(1R,2R)-1-[4-(cyclopropylmethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide.
What is the SMILES notation for N-[(1R,2R)-1-[4-(cyclopropylmethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
The canonical SMILES for N-[(1R,2R)-1-[4-(cyclopropylmethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide is O=C(CC1Cc2ccccc2C1)N[C@H](CN1CCCC1)[C@H](O)c1ccc(OCC2CC2)cc1.
What is the InChIKey of N-[(1R,2R)-1-[4-(cyclopropylmethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
The InChIKey is SVAHPDAGMJVRLL-IXCJQBJRSA-N. The full InChI is InChI=1S/C28H36N2O3/c31-27(17-21-15-23-5-1-2-6-24(23)16-21)29-26(18-30-13-3-4-14-30)28(32)22-9-11-25(12-10-22)33-19-20-7-8-20/h1-2,5-6,9-12,20-21,26,28,32H,3-4,7-8,13-19H2,(H,29,31)/t26-,28-/m1/s1.
What are the key properties of N-[(1R,2R)-1-[4-(cyclopropylmethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide?
N-[(1R,2R)-1-[4-(cyclopropylmethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide has a molecular weight of 448.61 g/mol, XLogP of 3.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-[4-(cyclopropylmethoxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-2-(2,3-dihydro-1H-inden-2-yl)acetamide is sourced from PubChem (CID 122445044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).