N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide

C22H29N3O2 — CID 51186432

IUPACN-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCC(Cc2ccccc2)N(C)C)cc1C
InChIInChI=1S/C22H29N3O2/c1-16-10-11-19(12-17(16)2)22(27)24-15-21(26)23-14-20(25(3)4)13-18-8-6-5-7-9-18/h5-12,20H,13-15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyBLCTUZJKNDCRJY-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.32
Rot. Bonds8

About N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 51186432) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID51186432
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)NCC(Cc2ccccc2)N(C)C)cc1C
InChIInChI=1S/C22H29N3O2/c1-16-10-11-19(12-17(16)2)22(27)24-15-21(26)23-14-20(25(3)4)13-18-8-6-5-7-9-18/h5-12,20H,13-15H2,1-4H3,(H,23,26)(H,24,27)
InChIKeyBLCTUZJKNDCRJY-UHFFFAOYSA-N
XLogP2.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 55787160
N-[2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 18167164
3,4-dimethyl-N-[2-oxo-2-(2-phenylbutylamino)ethyl]benzamide
CID 51213384
N-[2-(dimethylamino)-3-phenylpropyl]-3-iodobenzamide
CID 42907096
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 26796426
3,4-dimethyl-N-[2-oxo-2-(phenylmethoxyamino)ethyl]benzamide
CID 51220295
3,4-dimethyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 7534879
N-[2-(dimethylamino)-3-phenylpropyl]-4-oxo-4-phenylbutanamide
CID 75844778
2-[[[2-[(3,4-dimethylbenzoyl)amino]acetyl]amino]methyl]-4-methylpentanoic acid
CID 120528480
2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 86918031
N-[2-(dimethylamino)-3-phenylpropyl]-3,3-dimethylbutanamide
CID 47007668
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27157902

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide (CID 51186432) is N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(=O)NCC(Cc2ccccc2)N(C)C)cc1C.
What is the InChIKey of N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is BLCTUZJKNDCRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-10-11-19(12-17(16)2)22(27)24-15-21(26)23-14-20(25(3)4)13-18-8-6-5-7-9-18/h5-12,20H,13-15H2,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 367.49 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)-3-phenylpropyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 51186432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).