N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(propanoylamino)phenyl]-4-methylbenzamide

C26H33N3O3 — CID 11259111

IUPACN-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(propanoylamino)phenyl]-4-methylbenzamide
SMILESCCC(=O)Nc1cc(C(=O)NCC(C)(C)C)ccc1-c1cc(C(=O)NC2CC2)ccc1C
InChIInChI=1S/C26H33N3O3/c1-6-23(30)29-22-14-18(24(31)27-15-26(3,4)5)9-12-20(22)21-13-17(8-7-16(21)2)25(32)28-19-10-11-19/h7-9,12-14,19H,6,10-11,15H2,1-5H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyQYDPXQRCYLERST-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.68
Rot. Bonds7

About N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(propanoylamino)phenyl]-4-methylbenzamide

N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(propanoylamino)phenyl]-4-methylbenzamide (PubChem CID 11259111) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(propanoylamino)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(propanoylamino)phenyl]-4-methylbenzamide
PubChem CID11259111
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(propanoylamino)phenyl]-4-methylbenzamide
SMILESCCC(=O)Nc1cc(C(=O)NCC(C)(C)C)ccc1-c1cc(C(=O)NC2CC2)ccc1C
InChIInChI=1S/C26H33N3O3/c1-6-23(30)29-22-14-18(24(31)27-15-26(3,4)5)9-12-20(22)21-13-17(8-7-16(21)2)25(32)28-19-10-11-19/h7-9,12-14,19H,6,10-11,15H2,1-5H3,(H,27,31)(H,28,32)(H,29,30)
InChIKeyQYDPXQRCYLERST-UHFFFAOYSA-N
XLogP4.68
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(ethylcarbamoylamino)phenyl]-4-methylbenzamide
CID 11236294
3-[2-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4-methylbenzamide
CID 11314984
4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid
CID 91397175
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-methoxyphenyl]-5-fluoro-4-methylbenzamide;molecular hydrogen
CID 145282453
4-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-N-(3,4-difluorophenyl)-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide
CID 12002103
4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide
CID 69229769
4-methyl-3-(propanoylamino)benzoic acid
CID 888092
N-cyclopropyl-3-[2-[3-(dimethylamino)propoxy]-4-(2,2-dimethylpropylcarbamoyl)phenyl]-5-fluoro-4-methylbenzamide
CID 11431653
N-cyclopropyl-3-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-4-methylbenzamide
CID 156904443
N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 55963383
3-[3-amino-4-(2,2-dimethylpropylcarbamoyl)phenyl]-N-cyclopropyl-4,5-dimethylbenzamide
CID 135294127

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(propanoylamino)phenyl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(propanoylamino)phenyl]-4-methylbenzamide (CID 11259111) is N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(propanoylamino)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(propanoylamino)phenyl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(propanoylamino)phenyl]-4-methylbenzamide is CCC(=O)Nc1cc(C(=O)NCC(C)(C)C)ccc1-c1cc(C(=O)NC2CC2)ccc1C.
What is the InChIKey of N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(propanoylamino)phenyl]-4-methylbenzamide?
The InChIKey is QYDPXQRCYLERST-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-6-23(30)29-22-14-18(24(31)27-15-26(3,4)5)9-12-20(22)21-13-17(8-7-16(21)2)25(32)28-19-10-11-19/h7-9,12-14,19H,6,10-11,15H2,1-5H3,(H,27,31)(H,28,32)(H,29,30).
What are the key properties of N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(propanoylamino)phenyl]-4-methylbenzamide?
N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(propanoylamino)phenyl]-4-methylbenzamide has a molecular weight of 435.57 g/mol, XLogP of 4.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-(2,2-dimethylpropylcarbamoyl)-2-(propanoylamino)phenyl]-4-methylbenzamide is sourced from PubChem (CID 11259111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).