5-(dipentylamino)-2-ethoxy-4-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid

C25H41N3O6 — CID 70441983

IUPAC5-(dipentylamino)-2-ethoxy-4-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
SMILESCCCCCN(CCCCC)C(=O)C(CC(OCC)C(=O)O)NC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C25H41N3O6/c1-5-8-10-15-28(16-11-9-6-2)23(29)21(18-22(24(30)31)34-7-3)27-25(32)26-19-13-12-14-20(17-19)33-4/h12-14,17,21-22H,5-11,15-16,18H2,1-4H3,(H,30,31)(H2,26,27,32)
InChIKeyLSLPLZIHOMPIQB-UHFFFAOYSA-N
MW479.62 g/mol
LogP4.27
Rot. Bonds17

About 5-(dipentylamino)-2-ethoxy-4-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid

5-(dipentylamino)-2-ethoxy-4-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 70441983) has the molecular formula C25H41N3O6 and a molecular weight of 479.62 g/mol. Its IUPAC name is 5-(dipentylamino)-2-ethoxy-4-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(dipentylamino)-2-ethoxy-4-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID70441983
Molecular FormulaC25H41N3O6
Molecular Weight479.62 g/mol
Exact Mass479.30
IUPAC Name5-(dipentylamino)-2-ethoxy-4-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
SMILESCCCCCN(CCCCC)C(=O)C(CC(OCC)C(=O)O)NC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C25H41N3O6/c1-5-8-10-15-28(16-11-9-6-2)23(29)21(18-22(24(30)31)34-7-3)27-25(32)26-19-13-12-14-20(17-19)33-4/h12-14,17,21-22H,5-11,15-16,18H2,1-4H3,(H,30,31)(H2,26,27,32)
InChIKeyLSLPLZIHOMPIQB-UHFFFAOYSA-N
XLogP4.27
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chlorophenyl)carbamoylamino]-N,N-dipentylpentanamide
CID 57239303
2-[(3-methoxyphenyl)carbamoylamino]pentanedioic acid
CID 61191979
3-[4-[2-[2-butylsulfanylethyl-[(3-methoxyphenyl)carbamoyl]amino]ethoxy]phenyl]-2-ethoxypropanoic acid
CID 22231864
(2S)-N-hydroxy-2-[(3-methoxyphenyl)carbamoylamino]-4-methylpentanamide
CID 71584556
(2S,3R)-2-[(3-methoxyphenyl)carbamoylamino]-3-methylpentanoic acid
CID 938942
(2S)-5-amino-2-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 61200031
2-[(3-methoxyphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 3326622
2-ethoxy-3-[4-[2-[(3-methoxyphenyl)carbamoyl-(6,6,6-trifluorohexyl)amino]ethoxy]phenyl]propanoic acid
CID 22230313
1-(3-methoxyphenyl)-3-[(1R)-1-phenylpropyl]urea
CID 100746031
N'-butyl-N-(3-methoxyphenyl)-N'-methylpropanediamide
CID 108952045
ethyl 3-[2-[(3-methoxyphenyl)carbamoyl]hydrazinyl]-3-oxopropanoate
CID 90370606
3-(3-methoxy-N-pentylanilino)-2-methylpropanoic acid
CID 82318197

Frequently Asked Questions

What is the IUPAC name of 5-(dipentylamino)-2-ethoxy-4-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-(dipentylamino)-2-ethoxy-4-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid (CID 70441983) is 5-(dipentylamino)-2-ethoxy-4-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-(dipentylamino)-2-ethoxy-4-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-(dipentylamino)-2-ethoxy-4-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid is CCCCCN(CCCCC)C(=O)C(CC(OCC)C(=O)O)NC(=O)Nc1cccc(OC)c1.
What is the InChIKey of 5-(dipentylamino)-2-ethoxy-4-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is LSLPLZIHOMPIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O6/c1-5-8-10-15-28(16-11-9-6-2)23(29)21(18-22(24(30)31)34-7-3)27-25(32)26-19-13-12-14-20(17-19)33-4/h12-14,17,21-22H,5-11,15-16,18H2,1-4H3,(H,30,31)(H2,26,27,32).
What are the key properties of 5-(dipentylamino)-2-ethoxy-4-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid?
5-(dipentylamino)-2-ethoxy-4-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 479.62 g/mol, XLogP of 4.27, 17 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipentylamino)-2-ethoxy-4-[(3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 70441983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).