N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3,4-dimethylbenzamide

C18H21N3O2 — CID 39185496

IUPACN-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)CN)cc2C)cc1C
InChIInChI=1S/C18H21N3O2/c1-11-4-5-14(8-12(11)2)18(23)21-16-7-6-15(9-13(16)3)20-17(22)10-19/h4-9H,10,19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCEAKZEWCUFGKCB-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.76
Rot. Bonds4

About N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3,4-dimethylbenzamide

N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3,4-dimethylbenzamide (PubChem CID 39185496) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3,4-dimethylbenzamide
PubChem CID39185496
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(NC(=O)CN)cc2C)cc1C
InChIInChI=1S/C18H21N3O2/c1-11-4-5-14(8-12(11)2)18(23)21-16-7-6-15(9-13(16)3)20-17(22)10-19/h4-9H,10,19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyCEAKZEWCUFGKCB-UHFFFAOYSA-N
XLogP2.76
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-1,3-benzodioxole-5-carboxamide
CID 39185578
N-(3,4-dimethylphenyl)-4-(ethylamino)-3-methylbenzamide
CID 63209750
N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-2-fluorobenzamide
CID 39185468
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]-3-methylbenzamide
CID 39186055
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide;hydrochloride
CID 119298074
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide
CID 146654172
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
4-hydrazinyl-N-(4-iodophenyl)-3-methylbenzamide
CID 55162482

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3,4-dimethylbenzamide (CID 39185496) is N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(NC(=O)CN)cc2C)cc1C.
What is the InChIKey of N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3,4-dimethylbenzamide?
The InChIKey is CEAKZEWCUFGKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-4-5-14(8-12(11)2)18(23)21-16-7-6-15(9-13(16)3)20-17(22)10-19/h4-9H,10,19H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3,4-dimethylbenzamide?
N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3,4-dimethylbenzamide has a molecular weight of 311.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-aminoacetyl)amino]-2-methylphenyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 39185496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).