4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid

C17H25N3O3 — CID 122088906

IUPAC4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1c(NC(=O)NC2CCC(C(=O)O)CC2)cccc1N(C)C
InChIInChI=1S/C17H25N3O3/c1-11-14(5-4-6-15(11)20(2)3)19-17(23)18-13-9-7-12(8-10-13)16(21)22/h4-6,12-13H,7-10H2,1-3H3,(H,21,22)(H2,18,19,23)
InChIKeyFUJZUQPURYUJEI-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.83
Rot. Bonds4

About 4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122088906) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122088906
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1c(NC(=O)NC2CCC(C(=O)O)CC2)cccc1N(C)C
InChIInChI=1S/C17H25N3O3/c1-11-14(5-4-6-15(11)20(2)3)19-17(23)18-13-9-7-12(8-10-13)16(21)22/h4-6,12-13H,7-10H2,1-3H3,(H,21,22)(H2,18,19,23)
InChIKeyFUJZUQPURYUJEI-UHFFFAOYSA-N
XLogP2.83
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[benzyl(methyl)amino]phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078232
4-[(2,3-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61209411
1-[3-(dimethylamino)-2-methylphenyl]-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 97335866
4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077590
1-[3-(dimethylamino)-2-methylphenyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 126777919
4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094449
4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122091843
1-cyclobutyl-3-(3-hydroxy-2-methylphenyl)urea
CID 116658389
cis-(1R,3S)-3-[(2-bromophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114173616
4-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077257
4-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61182622
4-[[2-(2-fluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094575

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122088906) is 4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid is Cc1c(NC(=O)NC2CCC(C(=O)O)CC2)cccc1N(C)C.
What is the InChIKey of 4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is FUJZUQPURYUJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11-14(5-4-6-15(11)20(2)3)19-17(23)18-13-9-7-12(8-10-13)16(21)22/h4-6,12-13H,7-10H2,1-3H3,(H,21,22)(H2,18,19,23).
What are the key properties of 4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122088906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).