N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide

C22H27N3O2 — CID 54810258

IUPACN-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
SMILESCc1cccc(NCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C22H27N3O2/c1-16-6-5-9-20(14-16)23-15-21(26)24-19-12-10-17(11-13-19)22(27)25-18-7-3-2-4-8-18/h5-6,9-14,18,23H,2-4,7-8,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyYECNDJFPAYXEQN-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.11
Rot. Bonds6

About N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide

N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide (PubChem CID 54810258) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
PubChem CID54810258
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
SMILESCc1cccc(NCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1
InChIInChI=1S/C22H27N3O2/c1-16-6-5-9-20(14-16)23-15-21(26)24-19-12-10-17(11-13-19)22(27)25-18-7-3-2-4-8-18/h5-6,9-14,18,23H,2-4,7-8,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyYECNDJFPAYXEQN-UHFFFAOYSA-N
XLogP4.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3-acetamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54844186
4-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816004
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831098
N-cyclohexyl-4-[[2-[3-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54825662
4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide
CID 54841677
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
3-[[2-[4-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54837306
N-cyclohexyl-4-[[2-[3-(2-methylprop-2-enoxy)anilino]acetyl]amino]benzamide
CID 54825740
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098
N-cyclohexyl-4-[[2-(2,3-dimethylanilino)acetyl]amino]benzamide
CID 54816101
4-[[2-(2-bromoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54816658

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide (CID 54810258) is N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide is Cc1cccc(NCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1.
What is the InChIKey of N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide?
The InChIKey is YECNDJFPAYXEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-6-5-9-20(14-16)23-15-21(26)24-19-12-10-17(11-13-19)22(27)25-18-7-3-2-4-8-18/h5-6,9-14,18,23H,2-4,7-8,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide?
N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide has a molecular weight of 365.48 g/mol, XLogP of 4.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54810258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).