N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide

C24H29N3O3 — CID 32582405

IUPACN-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C24H29N3O3/c1-17(28)27(2)16-20-11-6-7-14-22(20)26-24(30)19-12-8-13-21(15-19)25-23(29)18-9-4-3-5-10-18/h6-8,11-15,18H,3-5,9-10,16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyPSEOZTVDBOHUFL-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.44
Rot. Bonds6

About N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide

N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide (PubChem CID 32582405) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide
PubChem CID32582405
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C24H29N3O3/c1-17(28)27(2)16-20-11-6-7-14-22(20)26-24(30)19-12-8-13-21(15-19)25-23(29)18-9-4-3-5-10-18/h6-8,11-15,18H,3-5,9-10,16H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyPSEOZTVDBOHUFL-UHFFFAOYSA-N
XLogP4.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclohexanecarbonylamino)-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 119440451
N-(2-acetylphenyl)-3-(cyclohexanecarbonylamino)benzamide
CID 55666415
N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide
CID 43704943
N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide
CID 31969965
N-[(2R)-1-[2-[[acetyl(methyl)amino]methyl]anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 94180749
3-(cyclopropanecarbonylamino)-N-(2-hydroxyphenyl)benzamide
CID 29260677
3-(cyclohexanecarbonylamino)-N,N-dimethylbenzamide
CID 17231797
N-[3-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55871483
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430
3-(cyclopropanecarbonylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 51146977
3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
3-(cyclohexanecarbonylamino)-N-quinolin-8-ylbenzamide
CID 39927304

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide?
The IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide (CID 32582405) is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide.
What is the SMILES notation for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide?
The canonical SMILES for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide is CC(=O)N(C)Cc1ccccc1NC(=O)c1cccc(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide?
The InChIKey is PSEOZTVDBOHUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17(28)27(2)16-20-11-6-7-14-22(20)26-24(30)19-12-8-13-21(15-19)25-23(29)18-9-4-3-5-10-18/h6-8,11-15,18H,3-5,9-10,16H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide?
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide has a molecular weight of 407.51 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide is sourced from PubChem (CID 32582405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).