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

C22H29N3O2 — CID 78822106

IUPACN-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)N(CCN(C)C)Cc2ccccc2)cc1C
InChIInChI=1S/C22H29N3O2/c1-17-10-11-20(14-18(17)2)22(27)23-15-21(26)25(13-12-24(3)4)16-19-8-6-5-7-9-19/h5-11,14H,12-13,15-16H2,1-4H3,(H,23,27)
InChIKeyVNSZMPKJQKKXIA-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.62
Rot. Bonds8

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

N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 78822106) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
PubChem CID78822106
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(=O)N(CCN(C)C)Cc2ccccc2)cc1C
InChIInChI=1S/C22H29N3O2/c1-17-10-11-20(14-18(17)2)22(27)23-15-21(26)25(13-12-24(3)4)16-19-8-6-5-7-9-19/h5-11,14H,12-13,15-16H2,1-4H3,(H,23,27)
InChIKeyVNSZMPKJQKKXIA-UHFFFAOYSA-N
XLogP2.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl(butan-2-yl)amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 112795398
N-[2-(dipropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 112995736
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 54869876
N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 78838061
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703570
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796
3,4-dimethyl-N-[2-[methyl(3-phenoxypropyl)amino]-2-oxoethyl]benzamide
CID 38580004
N-[2-[benzyl(propyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51186348
N-[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl]-3-chlorobenzamide
CID 31236222
methyl 2-[benzyl-[4-(3,4-dimethylphenyl)-4-oxobutanoyl]amino]acetate
CID 55993616
N-benzyl-2-[2-(dimethylamino)ethylamino]-N-ethylacetamide
CID 108994441
N-benzyl-2-(cyclopropylmethylamino)-N-[2-(dimethylamino)ethyl]acetamide
CID 60936936

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide (CID 78822106) is N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(=O)N(CCN(C)C)Cc2ccccc2)cc1C.
What is the InChIKey of N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide?
The InChIKey is VNSZMPKJQKKXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17-10-11-20(14-18(17)2)22(27)23-15-21(26)25(13-12-24(3)4)16-19-8-6-5-7-9-19/h5-11,14H,12-13,15-16H2,1-4H3,(H,23,27).
What are the key properties of N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide?
N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 367.49 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 78822106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).