N-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide

C22H30N2O — CID 151032584

IUPACN-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide
SMILESCCCN(CCC)Cc1ccc(N(C)C(=O)c2ccccc2C)cc1
InChIInChI=1S/C22H30N2O/c1-5-15-24(16-6-2)17-19-11-13-20(14-12-19)23(4)22(25)21-10-8-7-9-18(21)3/h7-14H,5-6,15-17H2,1-4H3
InChIKeyMAJLTTBFDJJFCO-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.89
Rot. Bonds8

About N-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide

N-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide (PubChem CID 151032584) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide
PubChem CID151032584
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide
SMILESCCCN(CCC)Cc1ccc(N(C)C(=O)c2ccccc2C)cc1
InChIInChI=1S/C22H30N2O/c1-5-15-24(16-6-2)17-19-11-13-20(14-12-19)23(4)22(25)21-10-8-7-9-18(21)3/h7-14H,5-6,15-17H2,1-4H3
InChIKeyMAJLTTBFDJJFCO-UHFFFAOYSA-N
XLogP4.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide?
The IUPAC name of N-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide (CID 151032584) is N-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide.
What is the SMILES notation for N-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide?
The canonical SMILES for N-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide is CCCN(CCC)Cc1ccc(N(C)C(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide?
The InChIKey is MAJLTTBFDJJFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-5-15-24(16-6-2)17-19-11-13-20(14-12-19)23(4)22(25)21-10-8-7-9-18(21)3/h7-14H,5-6,15-17H2,1-4H3.
What are the key properties of N-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide?
N-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide has a molecular weight of 338.50 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(dipropylamino)methyl]phenyl]-N,2-dimethylbenzamide is sourced from PubChem (CID 151032584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).