N-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide

C28H31N3O2 — CID 91394925

IUPACN-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCc2ccc(CN(C)C)cc2)cc1
InChIInChI=1S/C28H31N3O2/c1-19-4-9-24(28(33)30-25-14-15-25)16-26(19)22-10-12-23(13-11-22)27(32)29-17-20-5-7-21(8-6-20)18-31(2)3/h4-13,16,25H,14-15,17-18H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyFXYJYAJRKPPHDE-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.55
Rot. Bonds8

About N-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide

N-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide (PubChem CID 91394925) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide
PubChem CID91394925
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC NameN-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCc2ccc(CN(C)C)cc2)cc1
InChIInChI=1S/C28H31N3O2/c1-19-4-9-24(28(33)30-25-14-15-25)16-26(19)22-10-12-23(13-11-22)27(32)29-17-20-5-7-21(8-6-20)18-31(2)3/h4-13,16,25H,14-15,17-18H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyFXYJYAJRKPPHDE-UHFFFAOYSA-N
XLogP4.55
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane
CID 142826121
4-[(dimethylamino)methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 43393996
N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide
CID 71211058
N-cyclopropyl-3-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-4-methylbenzamide
CID 156904443
N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052147
N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide
CID 69315179
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
CID 110465113
N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide
CID 33360987
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26447378
3-[3-amino-4-[(3,4-dichlorophenyl)methyl-ethenylcarbamoyl]phenyl]-N-cyclopropyl-4-methylbenzamide
CID 89031459
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide (CID 91394925) is N-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCc2ccc(CN(C)C)cc2)cc1.
What is the InChIKey of N-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide?
The InChIKey is FXYJYAJRKPPHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-19-4-9-24(28(33)30-25-14-15-25)16-26(19)22-10-12-23(13-11-22)27(32)29-17-20-5-7-21(8-6-20)18-31(2)3/h4-13,16,25H,14-15,17-18H2,1-3H3,(H,29,32)(H,30,33).
What are the key properties of N-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide?
N-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide has a molecular weight of 441.58 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[[4-[(dimethylamino)methyl]phenyl]methylcarbamoyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 91394925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).