N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide

C28H37N3O3 — CID 23768544

IUPACN-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2CN(C(=O)C2CCCCC2)C2CCC(N)CC2)c1
InChIInChI=1S/C28H37N3O3/c1-34-25-12-7-11-21(18-25)27(32)30-26-13-6-5-10-22(26)19-31(24-16-14-23(29)15-17-24)28(33)20-8-3-2-4-9-20/h5-7,10-13,18,20,23-24H,2-4,8-9,14-17,19,29H2,1H3,(H,30,32)
InChIKeyRLOOJCKHCBCVLD-UHFFFAOYSA-N
MW463.62 g/mol
LogP5.13
Rot. Bonds7

About N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide

N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide (PubChem CID 23768544) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide
PubChem CID23768544
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC NameN-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2CN(C(=O)C2CCCCC2)C2CCC(N)CC2)c1
InChIInChI=1S/C28H37N3O3/c1-34-25-12-7-11-21(18-25)27(32)30-26-13-6-5-10-22(26)19-31(24-16-14-23(29)15-17-24)28(33)20-8-3-2-4-9-20/h5-7,10-13,18,20,23-24H,2-4,8-9,14-17,19,29H2,1H3,(H,30,32)
InChIKeyRLOOJCKHCBCVLD-UHFFFAOYSA-N
XLogP5.13
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.62
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide with MolForge

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Related Compounds

N-[2-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-3,4-dimethoxybenzamide
CID 23797083
N-[(2-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 23824862
N-[2-[[(2-aminocyclohexyl)-benzoylamino]methyl]phenyl]-3-fluorobenzamide
CID 23960191
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-(cyclohexanecarbonylamino)benzamide
CID 32582405
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
3-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119719111
N-[2-[[(4-aminocyclohexyl)-(3,3-dimethylbutanoyl)amino]methyl]phenyl]-4-fluorobenzamide
CID 23762344
N-[2-[acetyl(cycloheptyl)amino]ethyl]-3-methoxybenzamide
CID 113056703
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119715374
N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 23823774
N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide
CID 23792446

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide (CID 23768544) is N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccccc2CN(C(=O)C2CCCCC2)C2CCC(N)CC2)c1.
What is the InChIKey of N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide?
The InChIKey is RLOOJCKHCBCVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-34-25-12-7-11-21(18-25)27(32)30-26-13-6-5-10-22(26)19-31(24-16-14-23(29)15-17-24)28(33)20-8-3-2-4-9-20/h5-7,10-13,18,20,23-24H,2-4,8-9,14-17,19,29H2,1H3,(H,30,32).
What are the key properties of N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide?
N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide has a molecular weight of 463.62 g/mol, XLogP of 5.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 23768544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).