1-(4-bromophenyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclobutane-1-carboxamide

C24H27BrN2O3 — CID 112836167

IUPAC1-(4-bromophenyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(c2ccc(Br)cc2)CCC1)c1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C24H27BrN2O3/c1-16(17-3-11-21(12-4-17)30-15-22(28)27-20-9-10-20)26-23(29)24(13-2-14-24)18-5-7-19(25)8-6-18/h3-8,11-12,16,20H,2,9-10,13-15H2,1H3,(H,26,29)(H,27,28)
InChIKeyVXZGDTCDSVLXTK-UHFFFAOYSA-N
MW471.40 g/mol
LogP4.41
Rot. Bonds8

About 1-(4-bromophenyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclobutane-1-carboxamide

1-(4-bromophenyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclobutane-1-carboxamide (PubChem CID 112836167) has the molecular formula C24H27BrN2O3 and a molecular weight of 471.40 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclobutane-1-carboxamide
PubChem CID112836167
Molecular FormulaC24H27BrN2O3
Molecular Weight471.40 g/mol
Exact Mass470.12
IUPAC Name1-(4-bromophenyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclobutane-1-carboxamide
SMILESCC(NC(=O)C1(c2ccc(Br)cc2)CCC1)c1ccc(OCC(=O)NC2CC2)cc1
InChIInChI=1S/C24H27BrN2O3/c1-16(17-3-11-21(12-4-17)30-15-22(28)27-20-9-10-20)26-23(29)24(13-2-14-24)18-5-7-19(25)8-6-18/h3-8,11-12,16,20H,2,9-10,13-15H2,1H3,(H,26,29)(H,27,28)
InChIKeyVXZGDTCDSVLXTK-UHFFFAOYSA-N
XLogP4.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.40
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622064
(2R)-2-amino-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]propanamide;hydrochloride
CID 119288036
2-(4-bromophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133190690
N-[1-(4-bromophenyl)ethyl]-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 43873215
1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide
CID 55962698
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-ethoxyphenoxy)acetamide
CID 9218863
2-[4-(1-aminoethyl)phenoxy]-N-cyclopentylacetamide
CID 43186036
N-[1-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 110437540
N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]pyrrolidine-3-carboxamide
CID 119720950
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
2-(4-bromophenoxy)-N-piperidin-4-ylacetamide
CID 119386339
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclobutane-1-carboxamide (CID 112836167) is 1-(4-bromophenyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclobutane-1-carboxamide is CC(NC(=O)C1(c2ccc(Br)cc2)CCC1)c1ccc(OCC(=O)NC2CC2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclobutane-1-carboxamide?
The InChIKey is VXZGDTCDSVLXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrN2O3/c1-16(17-3-11-21(12-4-17)30-15-22(28)27-20-9-10-20)26-23(29)24(13-2-14-24)18-5-7-19(25)8-6-18/h3-8,11-12,16,20H,2,9-10,13-15H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 1-(4-bromophenyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclobutane-1-carboxamide?
1-(4-bromophenyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclobutane-1-carboxamide has a molecular weight of 471.40 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 1-(4-bromophenyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 112836167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).