N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]cyclopentanecarboxamide

C20H24N2O3 — CID 56785816

IUPACN-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C20H24N2O3/c23-18(17-10-9-14-5-1-4-8-16(14)11-17)12-21-19(24)13-22-20(25)15-6-2-3-7-15/h1,4-5,8-11,15,18,23H,2-3,6-7,12-13H2,(H,21,24)(H,22,25)
InChIKeyPKCPBKBBMLAGFX-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.30
Rot. Bonds6

About N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]cyclopentanecarboxamide

N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]cyclopentanecarboxamide (PubChem CID 56785816) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]cyclopentanecarboxamide
PubChem CID56785816
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]cyclopentanecarboxamide
SMILESO=C(CNC(=O)C1CCCC1)NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C20H24N2O3/c23-18(17-10-9-14-5-1-4-8-16(14)11-17)12-21-19(24)13-22-20(25)15-6-2-3-7-15/h1,4-5,8-11,15,18,23H,2-3,6-7,12-13H2,(H,21,24)(H,22,25)
InChIKeyPKCPBKBBMLAGFX-UHFFFAOYSA-N
XLogP2.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3~{S},7~{S},8~{S})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione
CID 145864193
benzyl N-[1-[[1-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-1,2-dioxopentan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 44353822
(2S,3S)-2-[[(2S)-2-acetamido-3-cyclohexylpropanoyl]amino]-N-[(2S,3R,4S)-3,4-dihydroxy-6-methyl-1-naphthalen-2-ylheptan-2-yl]-3-methylpentanamide
CID 71450856
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]cyclopentanecarboxamide
CID 22769485
(3S*,4S*)-4-(2-naphthyl)-1-(piperazin-1-ylacetyl)piperidin-3-ol
CID 50960104
N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 56785821
2-[(2-hydroxy-2-naphthalen-2-ylethyl)carbamoylamino]-N-(2-methylpropyl)acetamide
CID 71877036
3,3,3-trifluoro-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide
CID 72019353
2-(1-ethylpiperidin-4-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)acetamide
CID 72843487
(2S,4R)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide
CID 156011983
(2R,4S)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 156013645
(2R,4S)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide
CID 156018339

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]cyclopentanecarboxamide (CID 56785816) is N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]cyclopentanecarboxamide is O=C(CNC(=O)C1CCCC1)NCC(O)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]cyclopentanecarboxamide?
The InChIKey is PKCPBKBBMLAGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-18(17-10-9-14-5-1-4-8-16(14)11-17)12-21-19(24)13-22-20(25)15-6-2-3-7-15/h1,4-5,8-11,15,18,23H,2-3,6-7,12-13H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]cyclopentanecarboxamide?
N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]cyclopentanecarboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-2-oxoethyl]cyclopentanecarboxamide is sourced from PubChem (CID 56785816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).