4-(2-aminoethoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide

C15H22N2O4 — CID 110145638

IUPAC4-(2-aminoethoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide
SMILESCO[C@@H]1CC[C@@H](NC(=O)c2ccc(OCCN)cc2)[C@H]1O
InChIInChI=1S/C15H22N2O4/c1-20-13-7-6-12(14(13)18)17-15(19)10-2-4-11(5-3-10)21-9-8-16/h2-5,12-14,18H,6-9,16H2,1H3,(H,17,19)/t12-,13-,14-/m1/s1
InChIKeyVZTJYCAWCAVDGQ-MGPQQGTHSA-N
MW294.35 g/mol
LogP0.29
Rot. Bonds6

About 4-(2-aminoethoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide

4-(2-aminoethoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide (PubChem CID 110145638) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide.

Molecular Properties

Compound Name4-(2-aminoethoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide
PubChem CID110145638
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-(2-aminoethoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide
SMILESCO[C@@H]1CC[C@@H](NC(=O)c2ccc(OCCN)cc2)[C@H]1O
InChIInChI=1S/C15H22N2O4/c1-20-13-7-6-12(14(13)18)17-15(19)10-2-4-11(5-3-10)21-9-8-16/h2-5,12-14,18H,6-9,16H2,1H3,(H,17,19)/t12-,13-,14-/m1/s1
InChIKeyVZTJYCAWCAVDGQ-MGPQQGTHSA-N
XLogP0.29
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 110145734
4-(2-aminoethoxy)-N-cyclohexylbenzamide
CID 22362508
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 110125194
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-3-[2-(methylamino)ethoxy]benzamide
CID 110145684
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide
CID 110125491
N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
CID 119610066
2-chloro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide
CID 110125150
N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-phenoxycyclohexyl]benzamide
CID 155902479
4-(3-aminopropoxy)-N-[(1R,2S,3S,4R)-2,3-dihydroxy-4-[6-(methylamino)purin-9-yl]cyclohexyl]benzamide
CID 110135216
4-butoxy-N-cyclobutylbenzamide
CID 71449411
N-cyclohexyl-4-propoxybenzamide
CID 4938429
4-(2-aminoethoxy)-N-butan-2-ylbenzamide
CID 112500864

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide?
The IUPAC name of 4-(2-aminoethoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide (CID 110145638) is 4-(2-aminoethoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide.
What is the SMILES notation for 4-(2-aminoethoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide?
The canonical SMILES for 4-(2-aminoethoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide is CO[C@@H]1CC[C@@H](NC(=O)c2ccc(OCCN)cc2)[C@H]1O.
What is the InChIKey of 4-(2-aminoethoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide?
The InChIKey is VZTJYCAWCAVDGQ-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-20-13-7-6-12(14(13)18)17-15(19)10-2-4-11(5-3-10)21-9-8-16/h2-5,12-14,18H,6-9,16H2,1H3,(H,17,19)/t12-,13-,14-/m1/s1.
What are the key properties of 4-(2-aminoethoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide?
4-(2-aminoethoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethoxy)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclopentyl]benzamide is sourced from PubChem (CID 110145638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).