2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]-2-(6-methoxynaphthalen-2-yl)acetic acid

C19H24N2O4 — CID 134712158

IUPAC2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]-2-(6-methoxynaphthalen-2-yl)acetic acid
SMILESCOc1ccc2cc(C(C(=O)O)N(C)CCC(=O)N(C)C)ccc2c1
InChIInChI=1S/C19H24N2O4/c1-20(2)17(22)9-10-21(3)18(19(23)24)15-6-5-14-12-16(25-4)8-7-13(14)11-15/h5-8,11-12,18H,9-10H2,1-4H3,(H,23,24)
InChIKeyZDVKTCKFUQPQDE-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.38
Rot. Bonds7

About 2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]-2-(6-methoxynaphthalen-2-yl)acetic acid

2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]-2-(6-methoxynaphthalen-2-yl)acetic acid (PubChem CID 134712158) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]-2-(6-methoxynaphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]-2-(6-methoxynaphthalen-2-yl)acetic acid
PubChem CID134712158
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]-2-(6-methoxynaphthalen-2-yl)acetic acid
SMILESCOc1ccc2cc(C(C(=O)O)N(C)CCC(=O)N(C)C)ccc2c1
InChIInChI=1S/C19H24N2O4/c1-20(2)17(22)9-10-21(3)18(19(23)24)15-6-5-14-12-16(25-4)8-7-13(14)11-15/h5-8,11-12,18H,9-10H2,1-4H3,(H,23,24)
InChIKeyZDVKTCKFUQPQDE-UHFFFAOYSA-N
XLogP2.38
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(6-methoxynaphthalen-2-yl)-N-methylacetohydrazide
CID 116849020
3-ethoxy-2-(6-methoxynaphthalen-2-yl)-3-oxopropanoic acid
CID 139774449
2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 134714258
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
4-(6-methoxynaphthalen-2-yl)pentanoic acid
CID 113306207
3,3,3-trideuterio-2-(6-methoxynaphthalen-2-yl)(313C)propanoic acid
CID 46782447
3-[1-(4-methoxyphenyl)ethylamino]-N,N-dimethylpropanamide
CID 54934759
3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpentanoic acid
CID 10599
2-[(3-ethoxy-3-oxopropyl)-methylamino]-2-(4-fluoro-3-methylphenyl)acetic acid
CID 84749032

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]-2-(6-methoxynaphthalen-2-yl)acetic acid?
The IUPAC name of 2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]-2-(6-methoxynaphthalen-2-yl)acetic acid (CID 134712158) is 2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]-2-(6-methoxynaphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]-2-(6-methoxynaphthalen-2-yl)acetic acid?
The canonical SMILES for 2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]-2-(6-methoxynaphthalen-2-yl)acetic acid is COc1ccc2cc(C(C(=O)O)N(C)CCC(=O)N(C)C)ccc2c1.
What is the InChIKey of 2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]-2-(6-methoxynaphthalen-2-yl)acetic acid?
The InChIKey is ZDVKTCKFUQPQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-20(2)17(22)9-10-21(3)18(19(23)24)15-6-5-14-12-16(25-4)8-7-13(14)11-15/h5-8,11-12,18H,9-10H2,1-4H3,(H,23,24).
What are the key properties of 2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]-2-(6-methoxynaphthalen-2-yl)acetic acid?
2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]-2-(6-methoxynaphthalen-2-yl)acetic acid has a molecular weight of 344.41 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]-2-(6-methoxynaphthalen-2-yl)acetic acid is sourced from PubChem (CID 134712158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).