N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide

C22H29N3O2 — CID 46655947

IUPACN-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H29N3O2/c1-3-25(4-2)17-19-12-10-18(11-13-19)16-24-21(26)14-15-23-22(27)20-8-6-5-7-9-20/h5-13H,3-4,14-17H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyDFYUSGOYPIMXNW-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.96
Rot. Bonds10

About N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide

N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide (PubChem CID 46655947) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide
PubChem CID46655947
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide
SMILESCCN(CC)Cc1ccc(CNC(=O)CCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H29N3O2/c1-3-25(4-2)17-19-12-10-18(11-13-19)16-24-21(26)14-15-23-22(27)20-8-6-5-7-9-20/h5-13H,3-4,14-17H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyDFYUSGOYPIMXNW-UHFFFAOYSA-N
XLogP2.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 43580032
3-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide
CID 113385133
N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 55662715
N-[3-(benzylamino)-3-oxopropyl]-4-(methoxymethyl)benzamide
CID 60608621
N-[3-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 27821642
2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 119835863
4-amino-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 3069013
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
N-[3-[[4-(difluoromethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 24644344
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-(dimethylamino)benzamide
CID 24550915
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
4-(benzenesulfonamido)-N-[[4-(diethylaminomethyl)phenyl]methyl]benzamide
CID 55428597

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide (CID 46655947) is N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide is CCN(CC)Cc1ccc(CNC(=O)CCNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide?
The InChIKey is DFYUSGOYPIMXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-25(4-2)17-19-12-10-18(11-13-19)16-24-21(26)14-15-23-22(27)20-8-6-5-7-9-20/h5-13H,3-4,14-17H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide?
N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide has a molecular weight of 367.49 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(diethylaminomethyl)phenyl]methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 46655947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).