N-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide

C22H27N3O3 — CID 3895122

IUPACN-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
SMILESCc1cccc(NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)C(C)C)c1
InChIInChI=1S/C22H27N3O3/c1-16(2)22(28)25(14-18-9-5-4-6-10-18)15-21(27)23-13-20(26)24-19-11-7-8-17(3)12-19/h4-12,16H,13-15H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyJHVUEZAILJGUHC-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.73
Rot. Bonds8

About N-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide

N-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide (PubChem CID 3895122) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
PubChem CID3895122
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide
SMILESCc1cccc(NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)C(C)C)c1
InChIInChI=1S/C22H27N3O3/c1-16(2)22(28)25(14-18-9-5-4-6-10-18)15-21(27)23-13-20(26)24-19-11-7-8-17(3)12-19/h4-12,16H,13-15H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyJHVUEZAILJGUHC-UHFFFAOYSA-N
XLogP2.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 3895120
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylbutanamide
CID 4002372
N-benzyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 3895128
3-fluoro-N-[(4-fluorophenyl)methyl]-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 3887370
N-[(4-fluorophenyl)methyl]-3,3-dimethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide
CID 4620611
N-[(4-fluorophenyl)methyl]-3,5,5-trimethyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]hexanamide
CID 4238055
3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide
CID 109031789
N-benzyl-N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]benzamide
CID 46046062
(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 9038834
1-benzyl-3-(3-methylphenyl)-1-propan-2-ylurea
CID 51295493
N-cyclohexyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4183323
N-(furan-2-ylmethyl)-3-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]butanamide
CID 3887982

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide?
The IUPAC name of N-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide (CID 3895122) is N-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide.
What is the SMILES notation for N-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide?
The canonical SMILES for N-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide is Cc1cccc(NC(=O)CNC(=O)CN(Cc2ccccc2)C(=O)C(C)C)c1.
What is the InChIKey of N-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide?
The InChIKey is JHVUEZAILJGUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(2)22(28)25(14-18-9-5-4-6-10-18)15-21(27)23-13-20(26)24-19-11-7-8-17(3)12-19/h4-12,16H,13-15H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide?
N-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide has a molecular weight of 381.48 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 3895122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).