5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid

C18H21N3O5 — CID 120822057

IUPAC5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)NCc2cccc(NC(=O)N(C)C)c2)cc1C(=O)O
InChIInChI=1S/C18H21N3O5/c1-4-14-13(17(23)24)9-15(26-14)16(22)19-10-11-6-5-7-12(8-11)20-18(25)21(2)3/h5-9H,4,10H2,1-3H3,(H,19,22)(H,20,25)(H,23,24)
InChIKeyYVPITUPPOAKRDN-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.56
Rot. Bonds6

About 5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid

5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120822057) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120822057
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)NCc2cccc(NC(=O)N(C)C)c2)cc1C(=O)O
InChIInChI=1S/C18H21N3O5/c1-4-14-13(17(23)24)9-15(26-14)16(22)19-10-11-6-5-7-12(8-11)20-18(25)21(2)3/h5-9H,4,10H2,1-3H3,(H,19,22)(H,20,25)(H,23,24)
InChIKeyYVPITUPPOAKRDN-UHFFFAOYSA-N
XLogP2.56
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120820922
2-ethyl-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]furan-3-carboxylic acid
CID 120822190
5-[[3-(tert-butylsulfonylmethyl)phenyl]carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821824
2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822184
2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid
CID 120822531
5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821000
2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120821415
5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821790
3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide
CID 71929848
2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 119352015
5-[(2,2-dimethyl-3-phenylpropyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821950
2-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]-1,3-benzoxazole-5-carboxamide
CID 71846258

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid (CID 120822057) is 5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid is CCc1oc(C(=O)NCc2cccc(NC(=O)N(C)C)c2)cc1C(=O)O.
What is the InChIKey of 5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is YVPITUPPOAKRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-4-14-13(17(23)24)9-15(26-14)16(22)19-10-11-6-5-7-12(8-11)20-18(25)21(2)3/h5-9H,4,10H2,1-3H3,(H,19,22)(H,20,25)(H,23,24).
What are the key properties of 5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid?
5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 359.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylcarbamoylamino)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120822057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).