3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide

C23H30N2O3 — CID 5214532

IUPAC3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC2CCC(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C23H30N2O3/c1-27-21-13-10-19(16-22(21)28-2)23(26)25-15-14-24-20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-7,10,13,16,18,20,24H,8-9,11-12,14-15H2,1-2H3,(H,25,26)
InChIKeyUQBIMLNRLZTYDP-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.75
Rot. Bonds8

About 3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide

3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide (PubChem CID 5214532) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide
PubChem CID5214532
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC2CCC(c3ccccc3)CC2)cc1OC
InChIInChI=1S/C23H30N2O3/c1-27-21-13-10-19(16-22(21)28-2)23(26)25-15-14-24-20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-7,10,13,16,18,20,24H,8-9,11-12,14-15H2,1-2H3,(H,25,26)
InChIKeyUQBIMLNRLZTYDP-UHFFFAOYSA-N
XLogP3.75
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[2-(cyclopropylamino)ethyl]-4-methoxybenzamide
CID 62662939
4-(2-amino-2-oxoethoxy)-N-[2-(cycloheptylamino)ethyl]-3-methoxybenzamide
CID 119619542
N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-propan-2-yloxybenzamide;hydrochloride
CID 119620952
2-[(4-phenylcyclohexyl)amino]ethylurea
CID 83111311
N-[2-(cyclopropylamino)ethyl]-2-methoxybenzamide
CID 62665285
2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
CID 28650865
N-[2-(cycloheptylamino)ethyl]-4-methoxy-3-nitrobenzamide
CID 119620943
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-nitrobenzamide
CID 119620213
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide
CID 51153110
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-nitrobenzamide;hydrochloride
CID 119620212
N-[2-(cycloheptylamino)ethyl]-2-methoxybenzamide
CID 81487134

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide (CID 5214532) is 3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide is COc1ccc(C(=O)NCCNC2CCC(c3ccccc3)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide?
The InChIKey is UQBIMLNRLZTYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-27-21-13-10-19(16-22(21)28-2)23(26)25-15-14-24-20-11-8-18(9-12-20)17-6-4-3-5-7-17/h3-7,10,13,16,18,20,24H,8-9,11-12,14-15H2,1-2H3,(H,25,26).
What are the key properties of 3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide?
3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide has a molecular weight of 382.50 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[(4-phenylcyclohexyl)amino]ethyl]benzamide is sourced from PubChem (CID 5214532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).