2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-phenylpropanamide

C16H25N3O2 — CID 66053783

IUPAC2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N1CC(O)CC1CN(C)C
InChIInChI=1S/C16H25N3O2/c1-12(16(21)17-13-7-5-4-6-8-13)19-11-15(20)9-14(19)10-18(2)3/h4-8,12,14-15,20H,9-11H2,1-3H3,(H,17,21)
InChIKeyBTHADYXZKUJUON-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.01
Rot. Bonds5

About 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-phenylpropanamide

2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-phenylpropanamide (PubChem CID 66053783) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
PubChem CID66053783
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
SMILESCC(C(=O)Nc1ccccc1)N1CC(O)CC1CN(C)C
InChIInChI=1S/C16H25N3O2/c1-12(16(21)17-13-7-5-4-6-8-13)19-11-15(20)9-14(19)10-18(2)3/h4-8,12,14-15,20H,9-11H2,1-3H3,(H,17,21)
InChIKeyBTHADYXZKUJUON-UHFFFAOYSA-N
XLogP1.01
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenylethanone
CID 66053160
(2R)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-phenylpropanamide
CID 100844501
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 78962370
2-[2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 115462954
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanoic acid
CID 66056021
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenoxyethanone
CID 66051988
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 66052196
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-phenylpropanamide
CID 62469251
2-(3-amino-4-methylpyrrolidin-1-yl)-N-phenylpropanamide
CID 103576816
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909
2-[[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]amino]propanoic acid
CID 66052545
5-anilino-4-methyl-5-oxopentanoic acid
CID 58720000

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-phenylpropanamide?
The IUPAC name of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-phenylpropanamide (CID 66053783) is 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-phenylpropanamide.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-phenylpropanamide?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-phenylpropanamide is CC(C(=O)Nc1ccccc1)N1CC(O)CC1CN(C)C.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-phenylpropanamide?
The InChIKey is BTHADYXZKUJUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(16(21)17-13-7-5-4-6-8-13)19-11-15(20)9-14(19)10-18(2)3/h4-8,12,14-15,20H,9-11H2,1-3H3,(H,17,21).
What are the key properties of 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-phenylpropanamide?
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-phenylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-N-phenylpropanamide is sourced from PubChem (CID 66053783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).