2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide

C25H33N3O2 — CID 55940350

IUPAC2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide
SMILESCCC(C)C(=O)NCC(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C25H33N3O2/c1-3-19(2)25(30)27-17-24(29)26-16-22-8-4-5-9-23(22)21-12-10-20(11-13-21)18-28-14-6-7-15-28/h4-5,8-13,19H,3,6-7,14-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyFJJCWFHRFYKWFH-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.73
Rot. Bonds9

About 2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide

2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide (PubChem CID 55940350) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide
PubChem CID55940350
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide
SMILESCCC(C)C(=O)NCC(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C25H33N3O2/c1-3-19(2)25(30)27-17-24(29)26-16-22-8-4-5-9-23(22)21-12-10-20(11-13-21)18-28-14-6-7-15-28/h4-5,8-13,19H,3,6-7,14-18H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyFJJCWFHRFYKWFH-UHFFFAOYSA-N
XLogP3.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide
CID 55823394
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]acetamide
CID 92845510
N-[2-oxo-2-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]cyclopentanecarboxamide
CID 86883256
N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 42944706
N-[[2-[4-(1-piperidin-1-ylethyl)phenyl]phenyl]methyl]propanamide
CID 72839201
2-methyl-3-(methylamino)-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]propanamide
CID 119759392
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106
N-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55618585
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782
[2-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methanamine
CID 16793650
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 42945062

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide (CID 55940350) is 2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide is CCC(C)C(=O)NCC(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide?
The InChIKey is FJJCWFHRFYKWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-3-19(2)25(30)27-17-24(29)26-16-22-8-4-5-9-23(22)21-12-10-20(11-13-21)18-28-14-6-7-15-28/h4-5,8-13,19H,3,6-7,14-18H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide?
2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide has a molecular weight of 407.56 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethyl]butanamide is sourced from PubChem (CID 55940350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).