4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid

C18H28N2O3 — CID 122027362

IUPAC4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid
SMILESCCCCN(CC)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H28N2O3/c1-3-5-13-20(4-2)18(23)19-16(11-12-17(21)22)14-15-9-7-6-8-10-15/h6-10,16H,3-5,11-14H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyDDJVMXLIWLNUKG-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.29
Rot. Bonds10

About 4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid

4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid (PubChem CID 122027362) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid
PubChem CID122027362
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid
SMILESCCCCN(CC)C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H28N2O3/c1-3-5-13-20(4-2)18(23)19-16(11-12-17(21)22)14-15-9-7-6-8-10-15/h6-10,16H,3-5,11-14H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyDDJVMXLIWLNUKG-UHFFFAOYSA-N
XLogP3.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[ethyl(2-methylpropyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027258
4-[[2-methylpropyl(propyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027203
4-[[ethyl(pyridin-4-ylmethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027367
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[[ethyl-[(1-methyltriazol-4-yl)methyl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122028164
4-[[2-hydroxyethyl-[(4-methylphenyl)methyl]carbamoyl]amino]-5-phenylpentanoic acid
CID 122028172
4-[[benzyl(2,2-difluoroethyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027679
4-[[[(2R)-2-hydroxypropyl]-methylcarbamoyl]amino]-5-phenylpentanoic acid
CID 122027582
4-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122027271
4-[[methyl(pent-4-enyl)carbamoyl]amino]-5-phenylpentanoic acid
CID 122028340
4-(2-ethoxypropanoylamino)-5-phenylpentanoic acid
CID 120547298
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid (CID 122027362) is 4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid is CCCCN(CC)C(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid?
The InChIKey is DDJVMXLIWLNUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-3-5-13-20(4-2)18(23)19-16(11-12-17(21)22)14-15-9-7-6-8-10-15/h6-10,16H,3-5,11-14H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid?
4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid has a molecular weight of 320.43 g/mol, XLogP of 3.29, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(ethyl)carbamoyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).