N-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide

C19H28N2O4 — CID 94456240

IUPACN-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESCCOc1ccc(CNC(=O)[C@@H](C)NC(=O)C2CCCC2)cc1OC
InChIInChI=1S/C19H28N2O4/c1-4-25-16-10-9-14(11-17(16)24-3)12-20-18(22)13(2)21-19(23)15-7-5-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H,20,22)(H,21,23)/t13-/m1/s1
InChIKeyXNETUIBZGDBRPM-CYBMUJFWSA-N
MW348.44 g/mol
LogP2.40
Rot. Bonds8

About N-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide

N-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide (PubChem CID 94456240) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide
PubChem CID94456240
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESCCOc1ccc(CNC(=O)[C@@H](C)NC(=O)C2CCCC2)cc1OC
InChIInChI=1S/C19H28N2O4/c1-4-25-16-10-9-14(11-17(16)24-3)12-20-18(22)13(2)21-19(23)15-7-5-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H,20,22)(H,21,23)/t13-/m1/s1
InChIKeyXNETUIBZGDBRPM-CYBMUJFWSA-N
XLogP2.40
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
5-bromo-N-[1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55842887
4-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 46470684
N-[3-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]butan-2-yl]cyclohexanecarboxamide
CID 24595817
N-[(4-ethoxy-3-methoxyphenyl)methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide
CID 102560240
N-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 110781731
2-acetamido-2-cyclopentyl-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
CID 55635162
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 75494674
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]cyclobutanecarboxamide
CID 16722816
N-[(3,4-dimethoxyphenyl)methyl]azepane-4-carboxamide;hydrochloride
CID 154911557

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide (CID 94456240) is N-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide is CCOc1ccc(CNC(=O)[C@@H](C)NC(=O)C2CCCC2)cc1OC.
What is the InChIKey of N-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The InChIKey is XNETUIBZGDBRPM-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-4-25-16-10-9-14(11-17(16)24-3)12-20-18(22)13(2)21-19(23)15-7-5-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H,20,22)(H,21,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
N-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide has a molecular weight of 348.44 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 94456240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).