1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

C19H21NO4 — CID 17422094

IUPAC1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCC1)Nc1cccc2c(O)cccc12
InChIInChI=1S/C19H21NO4/c21-16-9-5-6-13-14(16)7-4-8-15(13)20-17(22)12-19(18(23)24)10-2-1-3-11-19/h4-9,21H,1-3,10-12H2,(H,20,22)(H,23,24)
InChIKeyMENJAVPMPWKZQN-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.91
Rot. Bonds4

About 1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid

1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (PubChem CID 17422094) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
PubChem CID17422094
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCCC1)Nc1cccc2c(O)cccc12
InChIInChI=1S/C19H21NO4/c21-16-9-5-6-13-14(16)7-4-8-15(13)20-17(22)12-19(18(23)24)10-2-1-3-11-19/h4-9,21H,1-3,10-12H2,(H,20,22)(H,23,24)
InChIKeyMENJAVPMPWKZQN-UHFFFAOYSA-N
XLogP3.91
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-hydroxyanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17442656
1-[2-(1H-indazol-4-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60933243
1-[2-(2,6-dibromoanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107596796
3-[(5-hydroxynaphthalen-1-yl)amino]-3-oxopropanoic acid
CID 62231947
1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79041898
1-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]cyclohexane-1-carboxylic acid
CID 24535569
1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17420083
1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43579885
N-(5-hydroxynaphthalen-1-yl)propanamide
CID 12882754
1-[2-[2-(diethylcarbamoyl)anilino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 47704266
2-(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)-N-(4-hydroxynaphthalen-1-yl)acetamide
CID 154764341
1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63671026

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid (CID 17422094) is 1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCCC1)Nc1cccc2c(O)cccc12.
What is the InChIKey of 1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
The InChIKey is MENJAVPMPWKZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c21-16-9-5-6-13-14(16)7-4-8-15(13)20-17(22)12-19(18(23)24)10-2-1-3-11-19/h4-9,21H,1-3,10-12H2,(H,20,22)(H,23,24).
What are the key properties of 1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid?
1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 17422094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).