N-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide

C21H27N3O2 — CID 8533527

IUPACN-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NCc1ccc(CN(C)C)cc1
InChIInChI=1S/C21H27N3O2/c1-16-6-4-5-7-19(16)21(26)22-13-12-20(25)23-14-17-8-10-18(11-9-17)15-24(2)3/h4-11H,12-15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyMDYSHPAPRPCHPP-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.49
Rot. Bonds8

About N-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide

N-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide (PubChem CID 8533527) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide
PubChem CID8533527
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)NCc1ccc(CN(C)C)cc1
InChIInChI=1S/C21H27N3O2/c1-16-6-4-5-7-19(16)21(26)22-13-12-20(25)23-14-17-8-10-18(11-9-17)15-24(2)3/h4-11H,12-15H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyMDYSHPAPRPCHPP-UHFFFAOYSA-N
XLogP2.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-oxo-3-(prop-2-enylamino)propyl]benzamide
CID 9076728
N-[3-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methylamino]-3-oxopropyl]-2-methoxybenzamide
CID 38260333
2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide
CID 24503498
2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
CID 9104877
N-[[4-[(dimethylamino)methyl]phenyl]methyl]pentanamide
CID 78810655
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46655947
N-[5-[(4-hydroxyphenyl)methylcarbamoylamino]pentyl]-2-methylbenzamide
CID 170385161
N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide
CID 18090249
2-chloro-N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]benzamide
CID 7700839
N-[(dimethylamino)methyl]-2-methylbenzamide
CID 67624413
2-methyl-N-[3-(3-methylsulfonylpropylamino)-3-oxopropyl]benzamide
CID 60550431

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide (CID 8533527) is N-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCC(=O)NCc1ccc(CN(C)C)cc1.
What is the InChIKey of N-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is MDYSHPAPRPCHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-16-6-4-5-7-19(16)21(26)22-13-12-20(25)23-14-17-8-10-18(11-9-17)15-24(2)3/h4-11H,12-15H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of N-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide?
N-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 353.47 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 8533527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).