4-(aminomethyl)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]oxane-4-carboxamide

C23H29N3O3 — CID 120923508

IUPAC4-(aminomethyl)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]oxane-4-carboxamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)C2(CN)CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C23H29N3O3/c1-2-26(20-6-4-3-5-7-20)21(27)16-18-8-10-19(11-9-18)25-22(28)23(17-24)12-14-29-15-13-23/h3-11H,2,12-17,24H2,1H3,(H,25,28)
InChIKeyVRADAZWTORWPJA-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.98
Rot. Bonds7

About 4-(aminomethyl)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]oxane-4-carboxamide

4-(aminomethyl)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]oxane-4-carboxamide (PubChem CID 120923508) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]oxane-4-carboxamide
PubChem CID120923508
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-(aminomethyl)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]oxane-4-carboxamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)C2(CN)CCOCC2)cc1)c1ccccc1
InChIInChI=1S/C23H29N3O3/c1-2-26(20-6-4-3-5-7-20)21(27)16-18-8-10-19(11-9-18)25-22(28)23(17-24)12-14-29-15-13-23/h3-11H,2,12-17,24H2,1H3,(H,25,28)
InChIKeyVRADAZWTORWPJA-UHFFFAOYSA-N
XLogP2.98
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[4-[2-(diethylamino)-2-oxoethyl]phenyl]oxane-4-carboxamide
CID 120922745
1-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717908
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
4-(aminomethyl)-N-[4-(ethylcarbamoyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120922928
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
(2S)-2-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 119717943
4-(aminomethyl)-N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]oxane-4-carboxamide
CID 120941701
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-phenylpropanamide
CID 55817357
4-(aminomethyl)-N-[3-(diethylaminomethyl)phenyl]oxane-4-carboxamide;dihydrochloride
CID 120939342
4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
CID 115439457
4-(aminomethyl)-N-[4-(2-methoxyphenoxy)phenyl]oxane-4-carboxamide
CID 120920350
4-(aminomethyl)-N-[(2-ethylphenyl)methyl]oxane-4-carboxamide
CID 64679884

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]oxane-4-carboxamide (CID 120923508) is 4-(aminomethyl)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]oxane-4-carboxamide is CCN(C(=O)Cc1ccc(NC(=O)C2(CN)CCOCC2)cc1)c1ccccc1.
What is the InChIKey of 4-(aminomethyl)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]oxane-4-carboxamide?
The InChIKey is VRADAZWTORWPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-26(20-6-4-3-5-7-20)21(27)16-18-8-10-19(11-9-18)25-22(28)23(17-24)12-14-29-15-13-23/h3-11H,2,12-17,24H2,1H3,(H,25,28).
What are the key properties of 4-(aminomethyl)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]oxane-4-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]oxane-4-carboxamide is sourced from PubChem (CID 120923508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).