2-ethyl-5-[1-(3-methoxyphenyl)propan-2-ylcarbamoyl]furan-3-carboxylic acid

C18H21NO5 — CID 120821852

IUPAC2-ethyl-5-[1-(3-methoxyphenyl)propan-2-ylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC(C)Cc2cccc(OC)c2)cc1C(=O)O
InChIInChI=1S/C18H21NO5/c1-4-15-14(18(21)22)10-16(24-15)17(20)19-11(2)8-12-6-5-7-13(9-12)23-3/h5-7,9-11H,4,8H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyAYOJWBTWOFYRES-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.91
Rot. Bonds7

About 2-ethyl-5-[1-(3-methoxyphenyl)propan-2-ylcarbamoyl]furan-3-carboxylic acid

2-ethyl-5-[1-(3-methoxyphenyl)propan-2-ylcarbamoyl]furan-3-carboxylic acid (PubChem CID 120821852) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-ethyl-5-[1-(3-methoxyphenyl)propan-2-ylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[1-(3-methoxyphenyl)propan-2-ylcarbamoyl]furan-3-carboxylic acid
PubChem CID120821852
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name2-ethyl-5-[1-(3-methoxyphenyl)propan-2-ylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NC(C)Cc2cccc(OC)c2)cc1C(=O)O
InChIInChI=1S/C18H21NO5/c1-4-15-14(18(21)22)10-16(24-15)17(20)19-11(2)8-12-6-5-7-13(9-12)23-3/h5-7,9-11H,4,8H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyAYOJWBTWOFYRES-UHFFFAOYSA-N
XLogP2.91
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
5-fluoro-N-[1-(3-methoxyphenyl)propan-2-yl]-1-benzofuran-2-carboxamide
CID 86967824
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
CID 120820543
2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid
CID 120820781
1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea
CID 86943865
4-[3-[1-(3-methoxyphenyl)propan-2-ylamino]-3-oxopropyl]benzoic acid
CID 119185222
(2R)-4-ethyl-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]morpholine-2-carboxamide
CID 95909052
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447
4-(1-hydroxyethyl)-N-[1-(3-methoxyphenyl)propan-2-yl]piperidine-1-carboxamide
CID 111438806
N-[2-[[(2S)-1-(3-methoxyphenyl)propan-2-yl]carbamoylamino]ethyl]acetamide
CID 97213130

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[1-(3-methoxyphenyl)propan-2-ylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[1-(3-methoxyphenyl)propan-2-ylcarbamoyl]furan-3-carboxylic acid (CID 120821852) is 2-ethyl-5-[1-(3-methoxyphenyl)propan-2-ylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[1-(3-methoxyphenyl)propan-2-ylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[1-(3-methoxyphenyl)propan-2-ylcarbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NC(C)Cc2cccc(OC)c2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[1-(3-methoxyphenyl)propan-2-ylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is AYOJWBTWOFYRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-4-15-14(18(21)22)10-16(24-15)17(20)19-11(2)8-12-6-5-7-13(9-12)23-3/h5-7,9-11H,4,8H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-ethyl-5-[1-(3-methoxyphenyl)propan-2-ylcarbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[1-(3-methoxyphenyl)propan-2-ylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[1-(3-methoxyphenyl)propan-2-ylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120821852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).