N-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide

C21H33N3O2 — CID 67567267

IUPACN-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2CCC(NCC(=O)NC(C)(C)C)CC2)c1
InChIInChI=1S/C21H33N3O2/c1-15-6-5-7-17(12-15)20(26)23-13-16-8-10-18(11-9-16)22-14-19(25)24-21(2,3)4/h5-7,12,16,18,22H,8-11,13-14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyRVUQFQCSKDQLIA-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.79
Rot. Bonds6

About N-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide

N-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide (PubChem CID 67567267) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide
PubChem CID67567267
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2CCC(NCC(=O)NC(C)(C)C)CC2)c1
InChIInChI=1S/C21H33N3O2/c1-15-6-5-7-17(12-15)20(26)23-13-16-8-10-18(11-9-16)22-14-19(25)24-21(2,3)4/h5-7,12,16,18,22H,8-11,13-14H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyRVUQFQCSKDQLIA-UHFFFAOYSA-N
XLogP2.79
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide with MolForge

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Related Compounds

N-[(4-bromocyclohexyl)methyl]-3-methylbenzamide
CID 106134528
tert-butyl (3R)-3-[[(3-methylbenzoyl)amino]methyl]pyrrolidine-1-carboxylate
CID 99854116
N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191330
N-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide
CID 54816609
N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide
CID 54816361
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 108922106
[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364084
N-tert-butyl-2-[(4-propylcyclohexyl)amino]acetamide
CID 60980793
N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 103602596
2-piperidin-1-ium-4-ylpropan-2-yl 2-[(3-methylbenzoyl)amino]acetate
CID 167315044
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide
CID 24637788
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26456891

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide?
The IUPAC name of N-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide (CID 67567267) is N-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide.
What is the SMILES notation for N-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide?
The canonical SMILES for N-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC2CCC(NCC(=O)NC(C)(C)C)CC2)c1.
What is the InChIKey of N-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide?
The InChIKey is RVUQFQCSKDQLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-15-6-5-7-17(12-15)20(26)23-13-16-8-10-18(11-9-16)22-14-19(25)24-21(2,3)4/h5-7,12,16,18,22H,8-11,13-14H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide?
N-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide has a molecular weight of 359.51 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[2-(tert-butylamino)-2-oxoethyl]amino]cyclohexyl]methyl]-3-methylbenzamide is sourced from PubChem (CID 67567267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).