(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide

C19H22BrN3O3 — CID 51935652

IUPAC(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1cccc(CN(C)C(=O)C[C@@H](NC(N)=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C19H22BrN3O3/c1-23(12-13-4-3-5-16(10-13)26-2)18(24)11-17(22-19(21)25)14-6-8-15(20)9-7-14/h3-10,17H,11-12H2,1-2H3,(H3,21,22,25)/t17-/m1/s1
InChIKeyHEUMASOGYHTBEL-QGZVFWFLSA-N
MW420.31 g/mol
LogP3.22
Rot. Bonds7

About (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide

(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 51935652) has the molecular formula C19H22BrN3O3 and a molecular weight of 420.31 g/mol. Its IUPAC name is (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide
PubChem CID51935652
Molecular FormulaC19H22BrN3O3
Molecular Weight420.31 g/mol
Exact Mass419.08
IUPAC Name(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1cccc(CN(C)C(=O)C[C@@H](NC(N)=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C19H22BrN3O3/c1-23(12-13-4-3-5-16(10-13)26-2)18(24)11-17(22-19(21)25)14-6-8-15(20)9-7-14/h3-10,17H,11-12H2,1-2H3,(H3,21,22,25)/t17-/m1/s1
InChIKeyHEUMASOGYHTBEL-QGZVFWFLSA-N
XLogP3.22
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.31
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[(3-methoxyphenyl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 51311545
(2S)-2-amino-N'-[(3-methoxyphenyl)methyl]-N'-methylpentanediamide
CID 58987433
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
1-[(1S)-1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 27517850
1-[1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 42924542
2,5-dibromo-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 114371373
3-(3,4-dichlorophenyl)-5-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylpentanamide
CID 19029342
ethyl 4-[(3-methoxyphenyl)methyl-methylamino]-4-oxobutanoate
CID 60636296
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648313
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
CID 54869166
3-amino-N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 120873575

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide (CID 51935652) is (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide is COc1cccc(CN(C)C(=O)C[C@@H](NC(N)=O)c2ccc(Br)cc2)c1.
What is the InChIKey of (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is HEUMASOGYHTBEL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22BrN3O3/c1-23(12-13-4-3-5-16(10-13)26-2)18(24)11-17(22-19(21)25)14-6-8-15(20)9-7-14/h3-10,17H,11-12H2,1-2H3,(H3,21,22,25)/t17-/m1/s1.
What are the key properties of (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide?
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 420.31 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(3-methoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 51935652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).