5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid

C16H24N2O3 — CID 43399748

IUPAC5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid
SMILESCCN(c1ccc(NC(=O)CCCC(=O)O)cc1)C(C)C
InChIInChI=1S/C16H24N2O3/c1-4-18(12(2)3)14-10-8-13(9-11-14)17-15(19)6-5-7-16(20)21/h8-12H,4-7H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyDYFNIFJXHZGHQU-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.11
Rot. Bonds8

About 5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid

5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid (PubChem CID 43399748) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid
PubChem CID43399748
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid
SMILESCCN(c1ccc(NC(=O)CCCC(=O)O)cc1)C(C)C
InChIInChI=1S/C16H24N2O3/c1-4-18(12(2)3)14-10-8-13(9-11-14)17-15(19)6-5-7-16(20)21/h8-12H,4-7H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyDYFNIFJXHZGHQU-UHFFFAOYSA-N
XLogP3.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
N-[4-[ethyl(propan-2-yl)amino]phenyl]-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 78807951
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023
methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate
CID 51088000
2-[[4-[ethyl(propan-2-yl)amino]phenyl]sulfamoyl]acetic acid
CID 43361897
5-(4-butan-2-yloxyanilino)-5-oxopentanoic acid
CID 17160602
(E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide
CID 7892131
4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide
CID 103155573
2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2104267
5-(4-methylsulfonylanilino)-5-oxopentanoic acid
CID 43397158
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79202648

Frequently Asked Questions

What is the IUPAC name of 5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid?
The IUPAC name of 5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid (CID 43399748) is 5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid is CCN(c1ccc(NC(=O)CCCC(=O)O)cc1)C(C)C.
What is the InChIKey of 5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid?
The InChIKey is DYFNIFJXHZGHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-18(12(2)3)14-10-8-13(9-11-14)17-15(19)6-5-7-16(20)21/h8-12H,4-7H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid?
5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid is sourced from PubChem (CID 43399748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).