N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide

C21H27N3O — CID 58590945

IUPACN-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(CN3CCC(N(C)C)C3)cc2)c1
InChIInChI=1S/C21H27N3O/c1-16(25)22-20-6-4-5-19(13-20)18-9-7-17(8-10-18)14-24-12-11-21(15-24)23(2)3/h4-10,13,21H,11-12,14-15H2,1-3H3,(H,22,25)
InChIKeyDEICDKZQLQUIDE-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.45
Rot. Bonds5

About N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide

N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide (PubChem CID 58590945) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide
PubChem CID58590945
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(CN3CCC(N(C)C)C3)cc2)c1
InChIInChI=1S/C21H27N3O/c1-16(25)22-20-6-4-5-19(13-20)18-9-7-17(8-10-18)14-24-12-11-21(15-24)23(2)3/h4-10,13,21H,11-12,14-15H2,1-3H3,(H,22,25)
InChIKeyDEICDKZQLQUIDE-UHFFFAOYSA-N
XLogP3.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946
N-(3-aminophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63165957
4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoic acid
CID 90269710
(3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 11631823
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[4-[[4-[[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 53322175
N-(3-cyanophenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 63164005
3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
CID 82980094
N-[3-[[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]amino]phenyl]acetamide
CID 68964157
2-amino-5-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-N-methylpyridine-3-carboxamide
CID 126675699
2-amino-5-[4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide
CID 146427026
N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine
CID 11695061
N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 124852047

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide (CID 58590945) is N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc(CN3CCC(N(C)C)C3)cc2)c1.
What is the InChIKey of N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide?
The InChIKey is DEICDKZQLQUIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16(25)22-20-6-4-5-19(13-20)18-9-7-17(8-10-18)14-24-12-11-21(15-24)23(2)3/h4-10,13,21H,11-12,14-15H2,1-3H3,(H,22,25).
What are the key properties of N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide?
N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide has a molecular weight of 337.47 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]phenyl]acetamide is sourced from PubChem (CID 58590945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).