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

C22H29N3O2 — CID 70572392

IUPAC2-amino-N-[[3-[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1cccc(-c2ccc(CN3CCC[C@@H]3CO)cc2)c1)C(=O)CN
InChIInChI=1S/C22H29N3O2/c1-24(22(27)13-23)14-18-4-2-5-20(12-18)19-9-7-17(8-10-19)15-25-11-3-6-21(25)16-26/h2,4-5,7-10,12,21,26H,3,6,11,13-16,23H2,1H3/t21-/m1/s1
InChIKeyMIVPSMFVSVNVOJ-OAQYLSRUSA-N
MW367.49 g/mol
LogP2.23
Rot. Bonds7

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

2-amino-N-[[3-[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide (PubChem CID 70572392) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-amino-N-[[3-[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[[3-[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide
PubChem CID70572392
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-amino-N-[[3-[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1cccc(-c2ccc(CN3CCC[C@@H]3CO)cc2)c1)C(=O)CN
InChIInChI=1S/C22H29N3O2/c1-24(22(27)13-23)14-18-4-2-5-20(12-18)19-9-7-17(8-10-19)15-25-11-3-6-21(25)16-26/h2,4-5,7-10,12,21,26H,3,6,11,13-16,23H2,1H3/t21-/m1/s1
InChIKeyMIVPSMFVSVNVOJ-OAQYLSRUSA-N
XLogP2.23
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-amino-N-[[3-[4-[[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide
CID 70572434
N-benzyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 78942574
2-amino-N-[[3-(4-fluorophenyl)phenyl]methyl]-N-methylacetamide
CID 70572290
2-amino-N-[[3-[4-(2-cyclopentylacetyl)phenyl]phenyl]methyl]-N-methylacetamide
CID 153179413
2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid
CID 134137520
2-amino-N-[[3-[4-(diethylaminomethyl)phenyl]phenyl]methyl]-N-methylacetamide;dihydrochloride
CID 134138777
N-[(4-ethylphenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 110922021
3-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 112734019
(E)-3-[4-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]prop-2-enoic acid
CID 109375335
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzyl-N-methylacetamide;hydrochloride
CID 119927034
N-[4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]phenyl]-3-hydroxypropanamide
CID 70572054
[1-[(3-aminophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407137

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[[3-[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide (CID 70572392) is 2-amino-N-[[3-[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[[3-[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[[3-[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide is CN(Cc1cccc(-c2ccc(CN3CCC[C@@H]3CO)cc2)c1)C(=O)CN.
What is the InChIKey of 2-amino-N-[[3-[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide?
The InChIKey is MIVPSMFVSVNVOJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-24(22(27)13-23)14-18-4-2-5-20(12-18)19-9-7-17(8-10-19)15-25-11-3-6-21(25)16-26/h2,4-5,7-10,12,21,26H,3,6,11,13-16,23H2,1H3/t21-/m1/s1.
What are the key properties of 2-amino-N-[[3-[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide?
2-amino-N-[[3-[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide has a molecular weight of 367.49 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-[4-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 70572392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).