[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium

C22H30N3O3+ — CID 8692076

IUPAC[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium
SMILESCCN(CC)C(=O)C[NH+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H29N3O3/c1-4-25(5-2)22(27)16-24(3)15-21(26)23-19-11-13-20(14-12-19)28-17-18-9-7-6-8-10-18/h6-14H,4-5,15-17H2,1-3H3,(H,23,26)/p+1
InChIKeyUJXDDDBQDVDTTC-UHFFFAOYSA-O
MW384.50 g/mol
LogP1.59
Rot. Bonds10

About [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium

[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium (PubChem CID 8692076) has the molecular formula C22H30N3O3+ and a molecular weight of 384.50 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium
PubChem CID8692076
Molecular FormulaC22H30N3O3+
Molecular Weight384.50 g/mol
Exact Mass384.23
IUPAC Name[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium
SMILESCCN(CC)C(=O)C[NH+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H29N3O3/c1-4-25(5-2)22(27)16-24(3)15-21(26)23-19-11-13-20(14-12-19)28-17-18-9-7-6-8-10-18/h6-14H,4-5,15-17H2,1-3H3,(H,23,26)/p+1
InChIKeyUJXDDDBQDVDTTC-UHFFFAOYSA-O
XLogP1.59
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366798
[2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 8692370
methyl-[[4-(methylcarbamoyl)phenyl]methyl]-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium
CID 9003143
N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 37221073
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020
ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
CID 4947468
N-(4-phenylmethoxyphenyl)-N',N'-dipropyloxamide
CID 108986506
1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium
CID 8801560
N-benzyl-N-ethyl-2-(4-phenylmethoxyanilino)acetamide
CID 108999046
benzyl-[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
CID 8900908
2-[acetyl(benzyl)amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113161318
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-phenylmethoxyphenyl)acetamide
CID 113160544

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium?
The IUPAC name of [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium (CID 8692076) is [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium is CCN(CC)C(=O)C[NH+](C)CC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium?
The InChIKey is UJXDDDBQDVDTTC-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H29N3O3/c1-4-25(5-2)22(27)16-24(3)15-21(26)23-19-11-13-20(14-12-19)28-17-18-9-7-6-8-10-18/h6-14H,4-5,15-17H2,1-3H3,(H,23,26)/p+1.
What are the key properties of [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium?
[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium has a molecular weight of 384.50 g/mol, XLogP of 1.59, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium is sourced from PubChem (CID 8692076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).