N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide

C15H23N3O2 — CID 119842520

IUPACN-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCN(C)Cc1cccc(CNC(=O)C2CC(O)CN2)c1
InChIInChI=1S/C15H23N3O2/c1-18(2)10-12-5-3-4-11(6-12)8-17-15(20)14-7-13(19)9-16-14/h3-6,13-14,16,19H,7-10H2,1-2H3,(H,17,20)
InChIKeyLJGMMTLBUWEQHV-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.09
Rot. Bonds5

About N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide

N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 119842520) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID119842520
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCN(C)Cc1cccc(CNC(=O)C2CC(O)CN2)c1
InChIInChI=1S/C15H23N3O2/c1-18(2)10-12-5-3-4-11(6-12)8-17-15(20)14-7-13(19)9-16-14/h3-6,13-14,16,19H,7-10H2,1-2H3,(H,17,20)
InChIKeyLJGMMTLBUWEQHV-UHFFFAOYSA-N
XLogP0.09
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
4-hydroxy-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119867415
methyl 2-[3-[[(4-hydroxypyrrolidine-2-carbonyl)amino]methyl]phenoxy]acetate
CID 119787113
(2S,4R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 125150535
N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119842564
(2S,4R)-4-hydroxy-N-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 170699848
(2R,4R)-N-[(4-fluoro-3-methylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 124587754
(2S,4R)-4-hydroxy-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 125152807
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119741551
(2S,4R)-N-[(4-bromophenyl)methyl]-4-hydroxypyrrolidine-2-carboxamide
CID 121231100
(2R,4S)-4-hydroxy-N-[(3-methoxy-4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 124688746
N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43703764

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide (CID 119842520) is N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide is CN(C)Cc1cccc(CNC(=O)C2CC(O)CN2)c1.
What is the InChIKey of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is LJGMMTLBUWEQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-18(2)10-12-5-3-4-11(6-12)8-17-15(20)14-7-13(19)9-16-14/h3-6,13-14,16,19H,7-10H2,1-2H3,(H,17,20).
What are the key properties of N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide?
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 119842520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).