N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide

C20H25N3O2 — CID 95193324

IUPACN-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NC[C@H]1CCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C20H25N3O2/c1-21-19-8-3-2-7-18(19)20(25)22-12-16-9-10-23(14-16)13-15-5-4-6-17(24)11-15/h2-8,11,16,21,24H,9-10,12-14H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyFOLBDIARMWVFSE-MRXNPFEDSA-N
MW339.44 g/mol
LogP2.69
Rot. Bonds6

About N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide

N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide (PubChem CID 95193324) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide
PubChem CID95193324
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NC[C@H]1CCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C20H25N3O2/c1-21-19-8-3-2-7-18(19)20(25)22-12-16-9-10-23(14-16)13-15-5-4-6-17(24)11-15/h2-8,11,16,21,24H,9-10,12-14H2,1H3,(H,22,25)/t16-/m1/s1
InChIKeyFOLBDIARMWVFSE-MRXNPFEDSA-N
XLogP2.69
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95208561
4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95226196
2-amino-N-[[(3S)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyrimidine-4-carboxamide
CID 95223504
3-[(3-ethylpyrrolidin-1-yl)methyl]phenol
CID 115883991
2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 62180742
3-hydroxy-N-[[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95194185
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
CID 95211495
3-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]phenol
CID 62069269
2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 61400257
N-[[1-[(4-hydroxyphenyl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 45190230
N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]-4-bromo-1-methoxynaphthalene-2-carboxamide
CID 101346624
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide?
The IUPAC name of N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide (CID 95193324) is N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide.
What is the SMILES notation for N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide?
The canonical SMILES for N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide is CNc1ccccc1C(=O)NC[C@H]1CCN(Cc2cccc(O)c2)C1.
What is the InChIKey of N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide?
The InChIKey is FOLBDIARMWVFSE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-21-19-8-3-2-7-18(19)20(25)22-12-16-9-10-23(14-16)13-15-5-4-6-17(24)11-15/h2-8,11,16,21,24H,9-10,12-14H2,1H3,(H,22,25)/t16-/m1/s1.
What are the key properties of N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide?
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide has a molecular weight of 339.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide is sourced from PubChem (CID 95193324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).