4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid

C20H27N3O5 — CID 122077590

IUPAC4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1c(NC(=O)NC2CCC(C(=O)O)CC2)cccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H27N3O5/c1-13-16(18(24)23-9-11-28-12-10-23)3-2-4-17(13)22-20(27)21-15-7-5-14(6-8-15)19(25)26/h2-4,14-15H,5-12H2,1H3,(H,25,26)(H2,21,22,27)
InChIKeyTWXOFLRTWCRIGF-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.23
Rot. Bonds4

About 4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122077590) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122077590
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1c(NC(=O)NC2CCC(C(=O)O)CC2)cccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H27N3O5/c1-13-16(18(24)23-9-11-28-12-10-23)3-2-4-17(13)22-20(27)21-15-7-5-14(6-8-15)19(25)26/h2-4,14-15H,5-12H2,1H3,(H,25,26)(H2,21,22,27)
InChIKeyTWXOFLRTWCRIGF-UHFFFAOYSA-N
XLogP2.23
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077257
2-cyclopropyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]propanamide
CID 126786282
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119304348
1-[(2-chlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569430
4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122088906
(E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 94642545
4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122074142
1-[(2,4-dichlorophenyl)methyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569614
1-[1-(1-benzofuran-2-yl)ethyl]-3-[2-methyl-3-(morpholine-4-carbonyl)phenyl]urea
CID 60569684
1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 60569503
1-cyclohexyl-3-[2-(4-methylpiperazine-1-carbonyl)phenyl]urea
CID 4943688
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119750611

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122077590) is 4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid is Cc1c(NC(=O)NC2CCC(C(=O)O)CC2)cccc1C(=O)N1CCOCC1.
What is the InChIKey of 4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is TWXOFLRTWCRIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-13-16(18(24)23-9-11-28-12-10-23)3-2-4-17(13)22-20(27)21-15-7-5-14(6-8-15)19(25)26/h2-4,14-15H,5-12H2,1H3,(H,25,26)(H2,21,22,27).
What are the key properties of 4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 389.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122077590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).