2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide

C21H26N2O2 — CID 11709831

IUPAC2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C21H26N2O2/c1-16(2)21(24)23(18-12-13-22-14-18)15-17-8-6-7-11-20(17)25-19-9-4-3-5-10-19/h3-11,16,18,22H,12-15H2,1-2H3/t18-/m0/s1
InChIKeyJNLWAWMHYQYRKA-SFHVURJKSA-N
MW338.45 g/mol
LogP3.83
Rot. Bonds6

About 2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide

2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide (PubChem CID 11709831) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
PubChem CID11709831
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C21H26N2O2/c1-16(2)21(24)23(18-12-13-22-14-18)15-17-8-6-7-11-20(17)25-19-9-4-3-5-10-19/h3-11,16,18,22H,12-15H2,1-2H3/t18-/m0/s1
InChIKeyJNLWAWMHYQYRKA-SFHVURJKSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11595006
but-2-enedioic acid;(3S)-N-(2-methylpropyl)-N-[(2-phenoxyphenyl)methyl]pyrrolidin-3-amine
CID 69059391
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11623560
N-(2,2-difluoroethyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide;hydrochloride
CID 87679944
2-phenoxy-N-pyrrolidin-3-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 72983499
N-(2,2-dimethylpropyl)-N-[(2-phenoxyphenyl)methyl]piperidin-4-amine
CID 57428658
2-phenoxy-N-[(3S)-pyrrolidin-3-yl]-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 69076306
N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11587945
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 44578112
N-[(2-phenylphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11536862
2-phenoxy-N-phenyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 11610150
but-2-enedioic acid;(3S)-N-[(2-ethoxyphenyl)methyl]-N-(2-methylpropyl)pyrrolidin-3-amine
CID 69062038

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide?
The IUPAC name of 2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide (CID 11709831) is 2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide?
The canonical SMILES for 2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide is CC(C)C(=O)N(Cc1ccccc1Oc1ccccc1)[C@H]1CCNC1.
What is the InChIKey of 2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide?
The InChIKey is JNLWAWMHYQYRKA-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(2)21(24)23(18-12-13-22-14-18)15-17-8-6-7-11-20(17)25-19-9-4-3-5-10-19/h3-11,16,18,22H,12-15H2,1-2H3/t18-/m0/s1.
What are the key properties of 2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide?
2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 11709831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).