3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide

C20H24BrN3O2 — CID 55773882

IUPAC3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc(C)c(C(C)NC(=O)CCNC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C20H24BrN3O2/c1-13-4-5-14(2)18(12-13)15(3)23-19(25)10-11-22-20(26)24-17-8-6-16(21)7-9-17/h4-9,12,15H,10-11H2,1-3H3,(H,23,25)(H2,22,24,26)
InChIKeyRUDZSXSEMSSGHE-UHFFFAOYSA-N
MW418.34 g/mol
LogP4.45
Rot. Bonds6

About 3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide

3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide (PubChem CID 55773882) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is 3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
PubChem CID55773882
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC Name3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
SMILESCc1ccc(C)c(C(C)NC(=O)CCNC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C20H24BrN3O2/c1-13-4-5-14(2)18(12-13)15(3)23-19(25)10-11-22-20(26)24-17-8-6-16(21)7-9-17/h4-9,12,15H,10-11H2,1-3H3,(H,23,25)(H2,22,24,26)
InChIKeyRUDZSXSEMSSGHE-UHFFFAOYSA-N
XLogP4.45
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 841018
3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide
CID 55765106
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 17327223
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
4-[1-(2,5-dimethylphenyl)ethylcarbamoylamino]-N,N-diethylbenzamide
CID 55695542
4-bromo-N-[3-[1-(2-methylphenyl)ethylamino]-3-oxopropyl]benzamide
CID 51149172
3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide
CID 115579678
2-(4-bromo-N-methylsulfonylanilino)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 30219947
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195
3-[(4-bromophenyl)carbamoylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119508627
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 99130631
3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55796869

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide?
The IUPAC name of 3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide (CID 55773882) is 3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide is Cc1ccc(C)c(C(C)NC(=O)CCNC(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide?
The InChIKey is RUDZSXSEMSSGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c1-13-4-5-14(2)18(12-13)15(3)23-19(25)10-11-22-20(26)24-17-8-6-16(21)7-9-17/h4-9,12,15H,10-11H2,1-3H3,(H,23,25)(H2,22,24,26).
What are the key properties of 3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide?
3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide has a molecular weight of 418.34 g/mol, XLogP of 4.45, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)carbamoylamino]-N-[1-(2,5-dimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 55773882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).