3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid

C16H24N2O3 — CID 62851938

IUPAC3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCCc1ccc(NC(=O)N(CC)CC(C)C(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-4-6-13-7-9-14(10-8-13)17-16(21)18(5-2)11-12(3)15(19)20/h7-10,12H,4-6,11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyFLZNFMQWWAELDI-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.21
Rot. Bonds7

About 3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid

3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62851938) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62851938
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCCc1ccc(NC(=O)N(CC)CC(C)C(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-4-6-13-7-9-14(10-8-13)17-16(21)18(5-2)11-12(3)15(19)20/h7-10,12H,4-6,11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyFLZNFMQWWAELDI-UHFFFAOYSA-N
XLogP3.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[ethyl-[(4-fluorophenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62828090
3-[(4-bromo-3-chlorophenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 107614607
3-[ethyl-[2-(4-fluorophenyl)ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 62854086
2-[4-[[ethyl(2-methylbutyl)carbamoyl]amino]phenyl]acetic acid
CID 79480744
3-[(3-carbamoylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 107809460
3-[(4-chloro-3-methoxyphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 107622510
3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62852836
3-[ethyl-[(3-fluoro-5-methylphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 79050237
3-methyl-2-[(4-propylphenyl)carbamoyl]butanoic acid
CID 115186130
2-methyl-N-(4-propylphenyl)propanamide
CID 58658667
3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853366
1-ethyl-1-(2-hydroxyethyl)-3-(4-pentylphenyl)urea
CID 110890910

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid (CID 62851938) is 3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid is CCCc1ccc(NC(=O)N(CC)CC(C)C(=O)O)cc1.
What is the InChIKey of 3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is FLZNFMQWWAELDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-6-13-7-9-14(10-8-13)17-16(21)18(5-2)11-12(3)15(19)20/h7-10,12H,4-6,11H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(4-propylphenyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62851938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).