N-butyl-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]benzamide

C24H33N3O2 — CID 57211752

IUPACN-butyl-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]benzamide
SMILESCCCCNC(=O)c1ccc(N(C)C(CN2CCC(O)C2)c2ccccc2)cc1
InChIInChI=1S/C24H33N3O2/c1-3-4-15-25-24(29)20-10-12-21(13-11-20)26(2)23(19-8-6-5-7-9-19)18-27-16-14-22(28)17-27/h5-13,22-23,28H,3-4,14-18H2,1-2H3,(H,25,29)
InChIKeyIAZQDLUJEZACSY-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.46
Rot. Bonds9

About N-butyl-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]benzamide

N-butyl-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]benzamide (PubChem CID 57211752) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-butyl-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]benzamide.

Molecular Properties

Compound NameN-butyl-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]benzamide
PubChem CID57211752
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-butyl-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]benzamide
SMILESCCCCNC(=O)c1ccc(N(C)C(CN2CCC(O)C2)c2ccccc2)cc1
InChIInChI=1S/C24H33N3O2/c1-3-4-15-25-24(29)20-10-12-21(13-11-20)26(2)23(19-8-6-5-7-9-19)18-27-16-14-22(28)17-27/h5-13,22-23,28H,3-4,14-18H2,1-2H3,(H,25,29)
InChIKeyIAZQDLUJEZACSY-UHFFFAOYSA-N
XLogP3.46
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-(3,3,3-trifluoropropyl)benzamide
CID 20640569
4-[[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-prop-2-ynylbenzamide
CID 21361724
4-[[(1S)-2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]-N-propylbenzamide;(2E)-2-methylpenta-2,4-dienoic acid
CID 142276646
4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]-N,N-dimethylbenzamide
CID 57208985
4-[[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-(2,2,3,3,3-pentafluoropropyl)benzamide
CID 20640568
3-chloro-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]-N-propylbenzamide
CID 22992920
4-[[(1R)-2-[(3S)-3-hydroxycyclopentyl]-1-phenylethyl]-methylamino]-N-propylbenzamide
CID 135010293
2-chloro-4-[[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-methylamino]benzamide
CID 59946023
(2-chlorobenzoyl)azanide;(3S)-1-[(2S)-2-(dimethylamino)-2-phenylethyl]pyrrolidin-3-ol;praseodymium
CID 160869676
N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-(N-methylanilino)acetamide
CID 21074159
6-[[2-[3-(methoxymethoxy)pyrrolidin-1-yl]-1-phenylethyl]-methylamino]-N-propylpyridine-3-carboxamide
CID 18359001
[3-chloro-4-[[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-methylamino]benzoyl]azanide;praseodymium
CID 59946012

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]benzamide?
The IUPAC name of N-butyl-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]benzamide (CID 57211752) is N-butyl-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]benzamide.
What is the SMILES notation for N-butyl-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]benzamide?
The canonical SMILES for N-butyl-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]benzamide is CCCCNC(=O)c1ccc(N(C)C(CN2CCC(O)C2)c2ccccc2)cc1.
What is the InChIKey of N-butyl-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]benzamide?
The InChIKey is IAZQDLUJEZACSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-3-4-15-25-24(29)20-10-12-21(13-11-20)26(2)23(19-8-6-5-7-9-19)18-27-16-14-22(28)17-27/h5-13,22-23,28H,3-4,14-18H2,1-2H3,(H,25,29).
What are the key properties of N-butyl-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]benzamide?
N-butyl-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]benzamide has a molecular weight of 395.55 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-methylamino]benzamide is sourced from PubChem (CID 57211752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).