N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide

C21H26N2O2 — CID 119059858

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide
SMILESCc1cc(C)c(-c2ccc(C(=O)NCC3(O)CCNC3)cc2)cc1C
InChIInChI=1S/C21H26N2O2/c1-14-10-16(3)19(11-15(14)2)17-4-6-18(7-5-17)20(24)23-13-21(25)8-9-22-12-21/h4-7,10-11,22,25H,8-9,12-13H2,1-3H3,(H,23,24)
InChIKeyINBJSGDWVPUHKF-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.73
Rot. Bonds4

About N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide

N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide (PubChem CID 119059858) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide
PubChem CID119059858
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide
SMILESCc1cc(C)c(-c2ccc(C(=O)NCC3(O)CCNC3)cc2)cc1C
InChIInChI=1S/C21H26N2O2/c1-14-10-16(3)19(11-15(14)2)17-4-6-18(7-5-17)20(24)23-13-21(25)8-9-22-12-21/h4-7,10-11,22,25H,8-9,12-13H2,1-3H3,(H,23,24)
InChIKeyINBJSGDWVPUHKF-UHFFFAOYSA-N
XLogP2.73
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[4-[[(3R)-3-hydroxypyrrolidin-3-yl]methylcarbamoyl]phenyl]benzoate
CID 126431731
N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]-4-(4-methylsulfonylphenyl)benzamide
CID 126448894
4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide
CID 126441939
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfonylbenzamide
CID 114760745
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide
CID 114760620
4-(5-fluoro-2-methoxyphenyl)-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzamide
CID 126432956
4-(4,6-dimethoxypyrimidin-2-yl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide;formic acid
CID 154905103
5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 121499472
5-[4-[(3-hydroxypyrrolidin-3-yl)methylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 154905723
methyl 2-[4-[(3-hydroxypiperidin-3-yl)methylcarbamoyl]phenyl]benzoate
CID 119067850
N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-4-piperidin-1-ylbenzamide
CID 99942311
5-(3-chloro-2-methylphenyl)-N-[(3-hydroxypyrrolidin-3-yl)methyl]naphthalene-2-carboxamide
CID 176502935

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide (CID 119059858) is N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide is Cc1cc(C)c(-c2ccc(C(=O)NCC3(O)CCNC3)cc2)cc1C.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide?
The InChIKey is INBJSGDWVPUHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-10-16(3)19(11-15(14)2)17-4-6-18(7-5-17)20(24)23-13-21(25)8-9-22-12-21/h4-7,10-11,22,25H,8-9,12-13H2,1-3H3,(H,23,24).
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide has a molecular weight of 338.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide is sourced from PubChem (CID 119059858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).