N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide

C18H26N2O4 — CID 26697465

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NC2CCCC2)cc1OCC
InChIInChI=1S/C18H26N2O4/c1-3-23-15-10-9-13(11-16(15)24-4-2)18(22)19-12-17(21)20-14-7-5-6-8-14/h9-11,14H,3-8,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyJJXICVGEBHXHLJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.27
Rot. Bonds8

About N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide

N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide (PubChem CID 26697465) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
PubChem CID26697465
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NC2CCCC2)cc1OCC
InChIInChI=1S/C18H26N2O4/c1-3-23-15-10-9-13(11-16(15)24-4-2)18(22)19-12-17(21)20-14-7-5-6-8-14/h9-11,14H,3-8,12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyJJXICVGEBHXHLJ-UHFFFAOYSA-N
XLogP2.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-3,4-diethoxybenzamide
CID 51273775
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217777
N-[2-(cyclohexylamino)-2-oxoethyl]-4-methoxy-3-methylsulfonylbenzamide
CID 110625200
N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide
CID 90498823
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-4-methoxybenzamide
CID 79601075
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211
3,4-dimethoxy-N-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 46651506
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide (CID 26697465) is N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCC(=O)NC2CCCC2)cc1OCC.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide?
The InChIKey is JJXICVGEBHXHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-23-15-10-9-13(11-16(15)24-4-2)18(22)19-12-17(21)20-14-7-5-6-8-14/h9-11,14H,3-8,12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide has a molecular weight of 334.42 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 26697465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).