2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide

C23H31N3O2 — CID 70572434

IUPAC2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide
SMILESCOC[C@H]1CCCN1Cc1ccc(-c2cccc(CN(C)C(=O)CN)c2)cc1
InChIInChI=1S/C23H31N3O2/c1-25(23(27)14-24)15-19-5-3-6-21(13-19)20-10-8-18(9-11-20)16-26-12-4-7-22(26)17-28-2/h3,5-6,8-11,13,22H,4,7,12,14-17,24H2,1-2H3/t22-/m1/s1
InChIKeyVLRATTCKJPBKPC-JOCHJYFZSA-N
MW381.52 g/mol
LogP2.88
Rot. Bonds8

About 2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide

2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide (PubChem CID 70572434) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide
PubChem CID70572434
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide
SMILESCOC[C@H]1CCCN1Cc1ccc(-c2cccc(CN(C)C(=O)CN)c2)cc1
InChIInChI=1S/C23H31N3O2/c1-25(23(27)14-24)15-19-5-3-6-21(13-19)20-10-8-18(9-11-20)16-26-12-4-7-22(26)17-28-2/h3,5-6,8-11,13,22H,4,7,12,14-17,24H2,1-2H3/t22-/m1/s1
InChIKeyVLRATTCKJPBKPC-JOCHJYFZSA-N
XLogP2.88
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide with MolForge

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Related Compounds

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CID 134803198
1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-propan-2-ylpyrrolidine-2-carboxamide
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CID 134802538
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide (CID 70572434) is 2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide is COC[C@H]1CCCN1Cc1ccc(-c2cccc(CN(C)C(=O)CN)c2)cc1.
What is the InChIKey of 2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide?
The InChIKey is VLRATTCKJPBKPC-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-25(23(27)14-24)15-19-5-3-6-21(13-19)20-10-8-18(9-11-20)16-26-12-4-7-22(26)17-28-2/h3,5-6,8-11,13,22H,4,7,12,14-17,24H2,1-2H3/t22-/m1/s1.
What are the key properties of 2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide?
2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide has a molecular weight of 381.52 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 70572434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).