N-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide

C30H33N3O3 — CID 55618585

IUPACN-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)NCc1ccccc1-c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C30H33N3O3/c34-29(21-36-27-8-5-7-26(18-27)32-30(35)24-14-15-24)31-19-25-6-1-2-9-28(25)23-12-10-22(11-13-23)20-33-16-3-4-17-33/h1-2,5-13,18,24H,3-4,14-17,19-21H2,(H,31,34)(H,32,35)
InChIKeyVZUPJVMHLSQHNQ-UHFFFAOYSA-N
MW483.61 g/mol
LogP4.99
Rot. Bonds10

About N-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 55618585) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is N-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide
PubChem CID55618585
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC NameN-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)NCc1ccccc1-c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C30H33N3O3/c34-29(21-36-27-8-5-7-26(18-27)32-30(35)24-14-15-24)31-19-25-6-1-2-9-28(25)23-12-10-22(11-13-23)20-33-16-3-4-17-33/h1-2,5-13,18,24H,3-4,14-17,19-21H2,(H,31,34)(H,32,35)
InChIKeyVZUPJVMHLSQHNQ-UHFFFAOYSA-N
XLogP4.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 56555372
N-[3-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethoxy]phenyl]cyclopropanecarboxamide
CID 55677177
N-[3-[2-oxo-2-[(2-pyrazol-1-yl-3-pyridinyl)methylamino]ethoxy]phenyl]cyclopropanecarboxamide
CID 38430538
methyl 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]benzoate
CID 46411540
N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 42944706
N-[3-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119621061
N-[3-[2-(2,2-diphenylethylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616709
2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
CID 119218358
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597
N-[3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]phenyl]cyclopropanecarboxamide
CID 55633395
2-[4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]triazol-1-yl]acetic acid
CID 120698154
N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 119498857

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide (CID 55618585) is N-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide is O=C(COc1cccc(NC(=O)C2CC2)c1)NCc1ccccc1-c1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is VZUPJVMHLSQHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c34-29(21-36-27-8-5-7-26(18-27)32-30(35)24-14-15-24)31-19-25-6-1-2-9-28(25)23-12-10-22(11-13-23)20-33-16-3-4-17-33/h1-2,5-13,18,24H,3-4,14-17,19-21H2,(H,31,34)(H,32,35).
What are the key properties of N-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 483.61 g/mol, XLogP of 4.99, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methylamino]ethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55618585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).