N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide

C27H29N3O2 — CID 23913041

IUPACN-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide
SMILESNC1CCC(N(Cc2ccc(NC(=O)c3ccccc3)cc2)C(=O)c2ccccc2)CC1
InChIInChI=1S/C27H29N3O2/c28-23-13-17-25(18-14-23)30(27(32)22-9-5-2-6-10-22)19-20-11-15-24(16-12-20)29-26(31)21-7-3-1-4-8-21/h1-12,15-16,23,25H,13-14,17-19,28H2,(H,29,31)
InChIKeyJOSSUGTXRGBDNO-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.85
Rot. Bonds6

About N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide

N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide (PubChem CID 23913041) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide
PubChem CID23913041
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide
SMILESNC1CCC(N(Cc2ccc(NC(=O)c3ccccc3)cc2)C(=O)c2ccccc2)CC1
InChIInChI=1S/C27H29N3O2/c28-23-13-17-25(18-14-23)30(27(32)22-9-5-2-6-10-22)19-20-11-15-24(16-12-20)29-26(31)21-7-3-1-4-8-21/h1-12,15-16,23,25H,13-14,17-19,28H2,(H,29,31)
InChIKeyJOSSUGTXRGBDNO-UHFFFAOYSA-N
XLogP4.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
benzyl N-[4-[[(4-aminocyclohexyl)-(4-cyanobenzoyl)amino]methyl]phenyl]carbamate
CID 23906844
N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide
CID 23738640
N-[4-[[(4-aminocyclohexyl)-(3,5-difluorobenzoyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23769883
4-[[[4-(carbamoylamino)benzoyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34180284
N-(2-aminocyclohexyl)-N-[(4-benzamidophenyl)methyl]-3-fluorobenzamide
CID 23904820
N-(4-aminocyclohexyl)-N-ethylbenzamide
CID 79116189
N-benzyl-4-(bromomethyl)-N-cyclopropylbenzamide
CID 102850934
N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide
CID 38253884
N-(4-aminocyclohexyl)-N-[[2-chloro-5-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-fluorobenzamide
CID 23849496
N-[4-[[cycloheptyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]methyl]phenyl]benzamide
CID 67699000
N-[3-[[(4-aminocyclohexyl)-(3-fluorobenzoyl)amino]methyl]phenyl]-2-bromobenzamide
CID 23913264

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide?
The IUPAC name of N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide (CID 23913041) is N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide?
The canonical SMILES for N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide is NC1CCC(N(Cc2ccc(NC(=O)c3ccccc3)cc2)C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide?
The InChIKey is JOSSUGTXRGBDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c28-23-13-17-25(18-14-23)30(27(32)22-9-5-2-6-10-22)19-20-11-15-24(16-12-20)29-26(31)21-7-3-1-4-8-21/h1-12,15-16,23,25H,13-14,17-19,28H2,(H,29,31).
What are the key properties of N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide?
N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide has a molecular weight of 427.55 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-aminocyclohexyl)-benzoylamino]methyl]phenyl]benzamide is sourced from PubChem (CID 23913041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).