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

C18H23N3O5 — CID 120974690

IUPAC2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1CCCO1)Nc1ccc(NC(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C18H23N3O5/c22-16(14-7-8-15(14)17(23)24)20-11-3-5-12(6-4-11)21-18(25)19-10-13-2-1-9-26-13/h3-6,13-15H,1-2,7-10H2,(H,20,22)(H,23,24)(H2,19,21,25)
InChIKeyWEDIVESTWNFLKV-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.04
Rot. Bonds6

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

2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120974690) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120974690
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1CCCO1)Nc1ccc(NC(=O)C2CCC2C(=O)O)cc1
InChIInChI=1S/C18H23N3O5/c22-16(14-7-8-15(14)17(23)24)20-11-3-5-12(6-4-11)21-18(25)19-10-13-2-1-9-26-13/h3-6,13-15H,1-2,7-10H2,(H,20,22)(H,23,24)(H2,19,21,25)
InChIKeyWEDIVESTWNFLKV-UHFFFAOYSA-N
XLogP2.04
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoylamino]butanoic acid
CID 122079897
1-cyclohexyl-3-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]urea
CID 134039404
1-N-(4-acetylphenyl)-2-N-(oxolan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133579
1-[4-(methanesulfonamido)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 108875185
2-N-(oxolan-2-ylmethyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133590
N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119701987
2-(oxolan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3119934
2-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 119701961
4-(oxolan-2-ylmethylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180641
4-iodo-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 55527587
1-(3,5-dichlorophenyl)-3-(oxolan-2-ylmethyl)urea
CID 6466967
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120974690) is 2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid is O=C(NCC1CCCO1)Nc1ccc(NC(=O)C2CCC2C(=O)O)cc1.
What is the InChIKey of 2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is WEDIVESTWNFLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c22-16(14-7-8-15(14)17(23)24)20-11-3-5-12(6-4-11)21-18(25)19-10-13-2-1-9-26-13/h3-6,13-15H,1-2,7-10H2,(H,20,22)(H,23,24)(H2,19,21,25).
What are the key properties of 2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 361.40 g/mol, XLogP of 2.04, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120974690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).