N-[3-[2-[[1-(3-bromophenyl)cyclobutyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

C23H25BrN2O3 — CID 55974338

IUPACN-[3-[2-[[1-(3-bromophenyl)cyclobutyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)NCC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C23H25BrN2O3/c24-18-5-1-4-17(12-18)23(10-3-11-23)15-25-21(27)14-29-20-7-2-6-19(13-20)26-22(28)16-8-9-16/h1-2,4-7,12-13,16H,3,8-11,14-15H2,(H,25,27)(H,26,28)
InChIKeyPXXQFMQQXYZEHK-UHFFFAOYSA-N
MW457.37 g/mol
LogP4.41
Rot. Bonds8

About N-[3-[2-[[1-(3-bromophenyl)cyclobutyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide

N-[3-[2-[[1-(3-bromophenyl)cyclobutyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (PubChem CID 55974338) has the molecular formula C23H25BrN2O3 and a molecular weight of 457.37 g/mol. Its IUPAC name is N-[3-[2-[[1-(3-bromophenyl)cyclobutyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-[[1-(3-bromophenyl)cyclobutyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
PubChem CID55974338
Molecular FormulaC23H25BrN2O3
Molecular Weight457.37 g/mol
Exact Mass456.10
IUPAC NameN-[3-[2-[[1-(3-bromophenyl)cyclobutyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)NCC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C23H25BrN2O3/c24-18-5-1-4-17(12-18)23(10-3-11-23)15-25-21(27)14-29-20-7-2-6-19(13-20)26-22(28)16-8-9-16/h1-2,4-7,12-13,16H,3,8-11,14-15H2,(H,25,27)(H,26,28)
InChIKeyPXXQFMQQXYZEHK-UHFFFAOYSA-N
XLogP4.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120543056
N-[3-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55880159
N-[3-[2-[3-(methylamino)propylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119433438
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-(cyclopropylmethylamino)acetamide
CID 119744818
N-[3-[2-[2-(cycloheptylamino)ethylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119621061
1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]cyclopropane-1-carboxylic acid
CID 75445818
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide
CID 46603028
N-[3-[2-(3-aminobutylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 119498857
N-[3-[2-(2,2-diphenylethylamino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 55616709
N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide
CID 46410900
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249671
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[1-(3-bromophenyl)cyclobutyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-[[1-(3-bromophenyl)cyclobutyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide (CID 55974338) is N-[3-[2-[[1-(3-bromophenyl)cyclobutyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-[[1-(3-bromophenyl)cyclobutyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-[[1-(3-bromophenyl)cyclobutyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is O=C(COc1cccc(NC(=O)C2CC2)c1)NCC1(c2cccc(Br)c2)CCC1.
What is the InChIKey of N-[3-[2-[[1-(3-bromophenyl)cyclobutyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
The InChIKey is PXXQFMQQXYZEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O3/c24-18-5-1-4-17(12-18)23(10-3-11-23)15-25-21(27)14-29-20-7-2-6-19(13-20)26-22(28)16-8-9-16/h1-2,4-7,12-13,16H,3,8-11,14-15H2,(H,25,27)(H,26,28).
What are the key properties of N-[3-[2-[[1-(3-bromophenyl)cyclobutyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide?
N-[3-[2-[[1-(3-bromophenyl)cyclobutyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide has a molecular weight of 457.37 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[1-(3-bromophenyl)cyclobutyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55974338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).