N-cycloheptyl-3-ethoxy-4-methoxybenzamide

C17H25NO3 — CID 24539374

IUPACN-cycloheptyl-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NC2CCCCCC2)ccc1OC
InChIInChI=1S/C17H25NO3/c1-3-21-16-12-13(10-11-15(16)20-2)17(19)18-14-8-6-4-5-7-9-14/h10-12,14H,3-9H2,1-2H3,(H,18,19)
InChIKeyHOZZATYHBDTNLK-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.55
Rot. Bonds5

About N-cycloheptyl-3-ethoxy-4-methoxybenzamide

N-cycloheptyl-3-ethoxy-4-methoxybenzamide (PubChem CID 24539374) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-cycloheptyl-3-ethoxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-cycloheptyl-3-ethoxy-4-methoxybenzamide
PubChem CID24539374
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-cycloheptyl-3-ethoxy-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NC2CCCCCC2)ccc1OC
InChIInChI=1S/C17H25NO3/c1-3-21-16-12-13(10-11-15(16)20-2)17(19)18-14-8-6-4-5-7-9-14/h10-12,14H,3-9H2,1-2H3,(H,18,19)
InChIKeyHOZZATYHBDTNLK-UHFFFAOYSA-N
XLogP3.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclohexyl-4-[(3-ethoxy-4-methoxybenzoyl)amino]-3-methylbenzamide
CID 55879424
N-[4-(cyclopropylcarbamoyl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 51299958
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
N-cyclohexyl-3-hydroxy-4-methoxybenzamide
CID 79600190
3-chloro-N-cyclohexyl-4-methoxybenzamide
CID 56923251
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide
CID 38394612
N-cyclopentyl-4-iodo-3-methoxybenzamide
CID 155908716
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-ethoxy-4-methoxybenzamide?
The IUPAC name of N-cycloheptyl-3-ethoxy-4-methoxybenzamide (CID 24539374) is N-cycloheptyl-3-ethoxy-4-methoxybenzamide.
What is the SMILES notation for N-cycloheptyl-3-ethoxy-4-methoxybenzamide?
The canonical SMILES for N-cycloheptyl-3-ethoxy-4-methoxybenzamide is CCOc1cc(C(=O)NC2CCCCCC2)ccc1OC.
What is the InChIKey of N-cycloheptyl-3-ethoxy-4-methoxybenzamide?
The InChIKey is HOZZATYHBDTNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-21-16-12-13(10-11-15(16)20-2)17(19)18-14-8-6-4-5-7-9-14/h10-12,14H,3-9H2,1-2H3,(H,18,19).
What are the key properties of N-cycloheptyl-3-ethoxy-4-methoxybenzamide?
N-cycloheptyl-3-ethoxy-4-methoxybenzamide has a molecular weight of 291.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-ethoxy-4-methoxybenzamide is sourced from PubChem (CID 24539374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).