N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide

C22H27N3O2 — CID 54816361

IUPACN-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(NC(=O)CNC3CCCCC3)cc2)c1
InChIInChI=1S/C22H27N3O2/c1-16-6-5-7-17(14-16)22(27)25-20-12-10-19(11-13-20)24-21(26)15-23-18-8-3-2-4-9-18/h5-7,10-14,18,23H,2-4,8-9,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyQCCUALSOIOQDRY-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.11
Rot. Bonds6

About N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide

N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide (PubChem CID 54816361) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide
PubChem CID54816361
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(NC(=O)CNC3CCCCC3)cc2)c1
InChIInChI=1S/C22H27N3O2/c1-16-6-5-7-17(14-16)22(27)25-20-12-10-19(11-13-20)24-21(26)15-23-18-8-3-2-4-9-18/h5-7,10-14,18,23H,2-4,8-9,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyQCCUALSOIOQDRY-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

3-[[2-(cyclohexylamino)acetyl]amino]-N-methylbenzamide
CID 54816300
N-tert-butyl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide
CID 54816609
N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide
CID 113010050
methyl 3-[[2-(cyclohexylamino)acetyl]amino]benzoate
CID 1133399
N-butan-2-yl-3-[[2-(cyclohexylamino)acetyl]amino]benzamide
CID 54816415
N-cyclooctyl-3-methylbenzamide
CID 966011
4-[[2-(cyclohexylamino)acetyl]amino]-N-cyclopropylbenzamide
CID 1442013
N-cyclohexyl-4-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810258
N-(4-chlorophenyl)-2-(cyclohexylamino)acetamide
CID 788648
N-(3-bromo-4-methylphenyl)-2-(cyclohexylamino)acetamide
CID 108993617
2-(cyclopentylamino)-N-(4-hydroxyphenyl)acetamide
CID 54918004
N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide
CID 106910927

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide (CID 54816361) is N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(NC(=O)CNC3CCCCC3)cc2)c1.
What is the InChIKey of N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide?
The InChIKey is QCCUALSOIOQDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-6-5-7-17(14-16)22(27)25-20-12-10-19(11-13-20)24-21(26)15-23-18-8-3-2-4-9-18/h5-7,10-14,18,23H,2-4,8-9,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide?
N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide 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-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide is sourced from PubChem (CID 54816361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).