3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide

C23H27N5O3 — CID 56513837

IUPAC3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)Nc1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C23H27N5O3/c1-27-15-14-24-21(27)17-31-20-10-8-19(9-11-20)26-22(29)12-13-25-23(30)28(2)16-18-6-4-3-5-7-18/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyQGCQUUHSSDBBBX-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.17
Rot. Bonds9

About 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide (PubChem CID 56513837) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide.

Molecular Properties

Compound Name3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide
PubChem CID56513837
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)Nc1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C23H27N5O3/c1-27-15-14-24-21(27)17-31-20-10-8-19(9-11-20)26-22(29)12-13-25-23(30)28(2)16-18-6-4-3-5-7-18/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,25,30)(H,26,29)
InChIKeyQGCQUUHSSDBBBX-UHFFFAOYSA-N
XLogP3.17
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide with MolForge

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Related Compounds

ethyl 1-[4-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]phenyl]pyrazole-3-carboxylate
CID 56514642
methyl 2-[[2-[4-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]phenyl]acetyl]amino]acetate
CID 56513173
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 56540324
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 56516489
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 55881355
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 55854248
2-(4-butylphenyl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 55767360
2-[4-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]-2-fluorophenyl]acetic acid
CID 122109906
2-(cyclopropylmethylamino)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]acetamide
CID 119858982
3-[[benzyl(methyl)carbamoyl]amino]-N-(3-pyrazin-2-yloxyphenyl)propanamide
CID 56556873
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-oxobutanamide
CID 56563032
2-ethoxy-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzamide
CID 47045513

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide?
The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide (CID 56513837) is 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide.
What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide?
The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide is CN(Cc1ccccc1)C(=O)NCCC(=O)Nc1ccc(OCc2nccn2C)cc1.
What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide?
The InChIKey is QGCQUUHSSDBBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-27-15-14-24-21(27)17-31-20-10-8-19(9-11-20)26-22(29)12-13-25-23(30)28(2)16-18-6-4-3-5-7-18/h3-11,14-15H,12-13,16-17H2,1-2H3,(H,25,30)(H,26,29).
What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide?
3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide has a molecular weight of 421.50 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]propanamide is sourced from PubChem (CID 56513837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).