N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide

C20H27N3O — CID 95204337

IUPACN-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide
SMILESCc1cccc(CN2CC[C@@H](CNC(=O)Cc3ccn(C)c3)C2)c1
InChIInChI=1S/C20H27N3O/c1-16-4-3-5-17(10-16)14-23-9-7-19(15-23)12-21-20(24)11-18-6-8-22(2)13-18/h3-6,8,10,13,19H,7,9,11-12,14-15H2,1-2H3,(H,21,24)/t19-/m0/s1
InChIKeyHZHNZSBFAIHOAW-IBGZPJMESA-N
MW325.46 g/mol
LogP2.51
Rot. Bonds6

About N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide

N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide (PubChem CID 95204337) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide
PubChem CID95204337
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide
SMILESCc1cccc(CN2CC[C@@H](CNC(=O)Cc3ccn(C)c3)C2)c1
InChIInChI=1S/C20H27N3O/c1-16-4-3-5-17(10-16)14-23-9-7-19(15-23)12-21-20(24)11-18-6-8-22(2)13-18/h3-6,8,10,13,19H,7,9,11-12,14-15H2,1-2H3,(H,21,24)/t19-/m0/s1
InChIKeyHZHNZSBFAIHOAW-IBGZPJMESA-N
XLogP2.51
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95208561
2-methyl-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081248
methyl 2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980866
2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 122154551
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
[1-[[3-(aminomethyl)phenyl]methyl]pyrrolidin-3-yl]methylcarbamic acid
CID 135324861
2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896062
1-(2-ethylphenyl)-3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609193
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetohydrazide
CID 17221703
2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide
CID 83980883
[1-[(1-methylpyrrol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 115882586
2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide?
The IUPAC name of N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide (CID 95204337) is N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide.
What is the SMILES notation for N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide?
The canonical SMILES for N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide is Cc1cccc(CN2CC[C@@H](CNC(=O)Cc3ccn(C)c3)C2)c1.
What is the InChIKey of N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide?
The InChIKey is HZHNZSBFAIHOAW-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27N3O/c1-16-4-3-5-17(10-16)14-23-9-7-19(15-23)12-21-20(24)11-18-6-8-22(2)13-18/h3-6,8,10,13,19H,7,9,11-12,14-15H2,1-2H3,(H,21,24)/t19-/m0/s1.
What are the key properties of N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide?
N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide has a molecular weight of 325.46 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(1-methylpyrrol-3-yl)acetamide is sourced from PubChem (CID 95204337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).