2-[[4-(dipropylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid

C19H26N2O4 — CID 120974818

IUPAC2-[[4-(dipropylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C19H26N2O4/c1-3-11-21(12-4-2)18(23)13-5-7-14(8-6-13)20-17(22)15-9-10-16(15)19(24)25/h5-8,15-16H,3-4,9-12H2,1-2H3,(H,20,22)(H,24,25)
InChIKeyLXTKTTAHYJYLHQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.00
Rot. Bonds8

About 2-[[4-(dipropylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[4-(dipropylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120974818) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[[4-(dipropylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(dipropylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120974818
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-[[4-(dipropylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCCCN(CCC)C(=O)c1ccc(NC(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C19H26N2O4/c1-3-11-21(12-4-2)18(23)13-5-7-14(8-6-13)20-17(22)15-9-10-16(15)19(24)25/h5-8,15-16H,3-4,9-12H2,1-2H3,(H,20,22)(H,24,25)
InChIKeyLXTKTTAHYJYLHQ-UHFFFAOYSA-N
XLogP3.00
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropanecarbonylamino)-N,N-dipropylbenzamide
CID 17196138
N-benzyl-4-[(2-methylcyclopropanecarbonyl)amino]-N-propylbenzamide
CID 55651793
4-(cyclohexanecarbonylamino)-N,N-dipropylbenzamide
CID 17196139
cis-(1S,2R)-2-[(4-propoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 23013499
4-[(2-aminoacetyl)amino]-N,N-dipropylbenzamide
CID 119282805
trans-(1S,2S)-2-[[4-(butanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 26257020
cis-(1R,2S)-2-[(4-propylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 27484556
cis-(1S,2R)-2-[(4-propylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 27484548
2-[2-methoxyethyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119189237
cis-(1S,2R)-2-[[4-(dimethylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 41097683
cis-(1R,2S)-2-[(4-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 853832
2-[methyl-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]acetic acid
CID 119136419

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dipropylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[4-(dipropylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120974818) is 2-[[4-(dipropylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(dipropylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(dipropylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid is CCCN(CCC)C(=O)c1ccc(NC(=O)C2CCC2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(dipropylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is LXTKTTAHYJYLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-3-11-21(12-4-2)18(23)13-5-7-14(8-6-13)20-17(22)15-9-10-16(15)19(24)25/h5-8,15-16H,3-4,9-12H2,1-2H3,(H,20,22)(H,24,25).
What are the key properties of 2-[[4-(dipropylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[4-(dipropylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dipropylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).