2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid

C16H20N2O4 — CID 120974686

IUPAC2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCN(C)C(=O)c1ccc(CNC(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C16H20N2O4/c1-18(2)15(20)11-5-3-10(4-6-11)9-17-14(19)12-7-8-13(12)16(21)22/h3-6,12-13H,7-9H2,1-2H3,(H,17,19)(H,21,22)
InChIKeySKGRXSDEVLBHKH-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.12
Rot. Bonds5

About 2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid

2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120974686) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120974686
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCN(C)C(=O)c1ccc(CNC(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C16H20N2O4/c1-18(2)15(20)11-5-3-10(4-6-11)9-17-14(19)12-7-8-13(12)16(21)22/h3-6,12-13H,7-9H2,1-2H3,(H,17,19)(H,21,22)
InChIKeySKGRXSDEVLBHKH-UHFFFAOYSA-N
XLogP1.12
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672448
cis-(1R,2S)-2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 887867
2-[(4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 2933604
4-[[[(1R,3R,4S)-4-hydroxy-3-methoxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide
CID 135094441
2-[[4-(4-fluorophenyl)sulfanylphenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977365
2-[(4-chloro-3-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977329
trans-(1R,2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 25344132
N,N-dimethyl-4-(methylaminomethyl)benzamide
CID 155590632
2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 122101524
N-methyl-4-[[(2-methylcyclopropanecarbonyl)amino]methyl]benzamide
CID 42953153
4-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 119701720
4-[(cyclooctylcarbamoylamino)methyl]-N,N-dimethylbenzamide
CID 86992768

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120974686) is 2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid is CN(C)C(=O)c1ccc(CNC(=O)C2CCC2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is SKGRXSDEVLBHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-18(2)15(20)11-5-3-10(4-6-11)9-17-14(19)12-7-8-13(12)16(21)22/h3-6,12-13H,7-9H2,1-2H3,(H,17,19)(H,21,22).
What are the key properties of 2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).