N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide

C21H25BrN2O3 — CID 55760971

IUPACN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide
SMILESCCN(Cc1cccc(NC(=O)CCCOc2ccccc2Br)c1)C(C)=O
InChIInChI=1S/C21H25BrN2O3/c1-3-24(16(2)25)15-17-8-6-9-18(14-17)23-21(26)12-7-13-27-20-11-5-4-10-19(20)22/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,23,26)
InChIKeyVCYQOUKHLFJJJI-UHFFFAOYSA-N
MW433.35 g/mol
LogP4.62
Rot. Bonds9

About N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide (PubChem CID 55760971) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide.

Molecular Properties

Compound NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide
PubChem CID55760971
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide
SMILESCCN(Cc1cccc(NC(=O)CCCOc2ccccc2Br)c1)C(C)=O
InChIInChI=1S/C21H25BrN2O3/c1-3-24(16(2)25)15-17-8-6-9-18(14-17)23-21(26)12-7-13-27-20-11-5-4-10-19(20)22/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,23,26)
InChIKeyVCYQOUKHLFJJJI-UHFFFAOYSA-N
XLogP4.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(2-bromophenyl)prop-2-enamide
CID 34332374
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-4-phenoxybutanamide
CID 55643203
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(4-ethoxyphenyl)acetamide
CID 38811561
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 34334963
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 38810050
N-[3-(benzenesulfonamido)phenyl]-4-(2-bromophenoxy)butanamide
CID 55840132
N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide
CID 34333863
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-(2,4-dimethylphenyl)propanamide
CID 46440379
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 38807911
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide
CID 38810181
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-bromo-2-chlorobenzamide
CID 60511474
4-(2-bromo-4-ethylphenoxy)-N-(3-fluorophenyl)butanamide
CID 19202057

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide?
The IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide (CID 55760971) is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide.
What is the SMILES notation for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide?
The canonical SMILES for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide is CCN(Cc1cccc(NC(=O)CCCOc2ccccc2Br)c1)C(C)=O.
What is the InChIKey of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide?
The InChIKey is VCYQOUKHLFJJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-3-24(16(2)25)15-17-8-6-9-18(14-17)23-21(26)12-7-13-27-20-11-5-4-10-19(20)22/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide?
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide has a molecular weight of 433.35 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(2-bromophenoxy)butanamide is sourced from PubChem (CID 55760971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).