3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide

C19H22BrN3O3 — CID 55796869

IUPAC3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrN3O3/c1-13(2)26-17-9-7-15(8-10-17)22-18(24)11-12-21-19(25)23-16-5-3-14(20)4-6-16/h3-10,13H,11-12H2,1-2H3,(H,22,24)(H2,21,23,25)
InChIKeyDAXAAULADGMAGQ-UHFFFAOYSA-N
MW420.31 g/mol
LogP4.39
Rot. Bonds7

About 3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide

3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 55796869) has the molecular formula C19H22BrN3O3 and a molecular weight of 420.31 g/mol. Its IUPAC name is 3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide
PubChem CID55796869
Molecular FormulaC19H22BrN3O3
Molecular Weight420.31 g/mol
Exact Mass419.08
IUPAC Name3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide
SMILESCC(C)Oc1ccc(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H22BrN3O3/c1-13(2)26-17-9-7-15(8-10-17)22-18(24)11-12-21-19(25)23-16-5-3-14(20)4-6-16/h3-10,13H,11-12H2,1-2H3,(H,22,24)(H2,21,23,25)
InChIKeyDAXAAULADGMAGQ-UHFFFAOYSA-N
XLogP4.39
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide
CID 55796575
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
3-[(4-bromophenyl)carbamoylamino]-N-(3,4-dimethylphenyl)propanamide
CID 55765106
methyl 3-[(4-bromophenyl)carbamoylamino]propanoate
CID 47361141
3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109036370
2-[2-[(4-propan-2-yloxyphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463310
1-[3-(dimethylamino)propyl]-3-(4-propan-2-yloxyphenyl)urea
CID 108988372
2-chloro-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide
CID 43146435
N'-(4-propan-2-yloxyphenyl)butanediamide
CID 94268902
N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
CID 119739143
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide
CID 119739151
4-chloro-N-(4-propan-2-yloxyphenyl)butanamide
CID 17161001

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide (CID 55796869) is 3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide is CC(C)Oc1ccc(NC(=O)CCNC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is DAXAAULADGMAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O3/c1-13(2)26-17-9-7-15(8-10-17)22-18(24)11-12-21-19(25)23-16-5-3-14(20)4-6-16/h3-10,13H,11-12H2,1-2H3,(H,22,24)(H2,21,23,25).
What are the key properties of 3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide?
3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 420.31 g/mol, XLogP of 4.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 55796869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).