2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid

C16H20N2O3 — CID 108912522

IUPAC2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NC=C2CCCCC2)cc1
InChIInChI=1S/C16H20N2O3/c19-15(20)10-12-6-8-14(9-7-12)18-16(21)17-11-13-4-2-1-3-5-13/h6-9,11H,1-5,10H2,(H,19,20)(H2,17,18,21)
InChIKeyFZTJFTMQJXOWOB-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.28
Rot. Bonds4

About 2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid

2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid (PubChem CID 108912522) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid
PubChem CID108912522
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)NC=C2CCCCC2)cc1
InChIInChI=1S/C16H20N2O3/c19-15(20)10-12-6-8-14(9-7-12)18-16(21)17-11-13-4-2-1-3-5-13/h6-9,11H,1-5,10H2,(H,19,20)(H2,17,18,21)
InChIKeyFZTJFTMQJXOWOB-UHFFFAOYSA-N
XLogP3.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(oxan-4-ylidenemethylcarbamoylamino)phenyl]acetic acid
CID 108913213
1-(4-bromophenyl)-3-(cyclohexylidenemethyl)urea
CID 108912362
1-(4-aminophenyl)-3-(cyclopentylidenemethyl)urea
CID 108913432
2-[4-(2-methylprop-1-enylcarbamoylamino)phenyl]acetic acid
CID 108909914
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
1-(cyclohexylidenemethyl)-3-(3,5-dichlorophenyl)urea
CID 108912618
2-(cyclohexylidenemethylcarbamoylamino)acetic acid
CID 108912438
1-(4-ethylphenyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913217
4-[[4-(carboxymethyl)phenyl]carbamoylamino]benzoic acid
CID 127562090
2-[4-(cyclopentylmethylcarbamoylamino)phenyl]acetic acid
CID 61197827
1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea
CID 108913655
1-(cyclohexylidenemethyl)-3-pyrimidin-2-ylurea
CID 108912511

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid?
The IUPAC name of 2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid (CID 108912522) is 2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid?
The canonical SMILES for 2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)NC=C2CCCCC2)cc1.
What is the InChIKey of 2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid?
The InChIKey is FZTJFTMQJXOWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(20)10-12-6-8-14(9-7-12)18-16(21)17-11-13-4-2-1-3-5-13/h6-9,11H,1-5,10H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid?
2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylidenemethylcarbamoylamino)phenyl]acetic acid is sourced from PubChem (CID 108912522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).