N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide

C23H25N3O2 — CID 54845622

IUPACN,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCN(C)C(=O)CCc1cccc(NCC(=O)Nc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H25N3O2/c1-26(2)23(28)13-10-17-6-5-9-20(14-17)24-16-22(27)25-21-12-11-18-7-3-4-8-19(18)15-21/h3-9,11-12,14-15,24H,10,13,16H2,1-2H3,(H,25,27)
InChIKeyKEOOMXXCLMEMBN-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.91
Rot. Bonds7

About N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide

N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 54845622) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
PubChem CID54845622
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCN(C)C(=O)CCc1cccc(NCC(=O)Nc2ccc3ccccc3c2)c1
InChIInChI=1S/C23H25N3O2/c1-26(2)23(28)13-10-17-6-5-9-20(14-17)24-16-22(27)25-21-12-11-18-7-3-4-8-19(18)15-21/h3-9,11-12,14-15,24H,10,13,16H2,1-2H3,(H,25,27)
InChIKeyKEOOMXXCLMEMBN-UHFFFAOYSA-N
XLogP3.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845774
N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845549
N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840675
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495
N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54845657
3-[3-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845617
3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54831723
N,N-dimethyl-3-[3-[[2-(2-propan-2-ylanilino)acetyl]amino]phenyl]propanamide
CID 54823352
N,N-dimethyl-3-[3-[[2-(4-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54821485
N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide
CID 54812065

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide (CID 54845622) is N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide is CN(C)C(=O)CCc1cccc(NCC(=O)Nc2ccc3ccccc3c2)c1.
What is the InChIKey of N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is KEOOMXXCLMEMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-26(2)23(28)13-10-17-6-5-9-20(14-17)24-16-22(27)25-21-12-11-18-7-3-4-8-19(18)15-21/h3-9,11-12,14-15,24H,10,13,16H2,1-2H3,(H,25,27).
What are the key properties of N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide?
N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide has a molecular weight of 375.47 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54845622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).