2-(diethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate

C24H32N2O4 — CID 6100743

IUPAC2-(diethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate
SMILESCCOc1ccc(N(C(=O)c2ccccc2)[C@@H](C)C(=O)OCCN(CC)CC)cc1
InChIInChI=1S/C24H32N2O4/c1-5-25(6-2)17-18-30-24(28)19(4)26(23(27)20-11-9-8-10-12-20)21-13-15-22(16-14-21)29-7-3/h8-16,19H,5-7,17-18H2,1-4H3/t19-/m0/s1
InChIKeyIVXFVLAPRUCYBK-IBGZPJMESA-N
MW412.53 g/mol
LogP4.01
Rot. Bonds11

About 2-(diethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate

2-(diethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate (PubChem CID 6100743) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-(diethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate
PubChem CID6100743
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name2-(diethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate
SMILESCCOc1ccc(N(C(=O)c2ccccc2)[C@@H](C)C(=O)OCCN(CC)CC)cc1
InChIInChI=1S/C24H32N2O4/c1-5-25(6-2)17-18-30-24(28)19(4)26(23(27)20-11-9-8-10-12-20)21-13-15-22(16-14-21)29-7-3/h8-16,19H,5-7,17-18H2,1-4H3/t19-/m0/s1
InChIKeyIVXFVLAPRUCYBK-IBGZPJMESA-N
XLogP4.01
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-(N-acetyl-4-ethoxyanilino)propanoate
CID 71304548
4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
1-[4-[3-(diethylamino)propoxy]phenyl]-2-phenylpropan-1-one
CID 155387268
2-(diethylamino)ethyl (2S)-2-(N-[2-chloro-4-[(2,6-dichlorobenzoyl)amino]-6-methylbenzoyl]anilino)propanoate
CID 68534952
2-(diethylamino)ethyl 4-(2-methylpropoxy)benzoate
CID 27483
benzamide;1,4-diethoxybenzene
CID 162120306
2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
CID 657315
N-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 3573105
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-methoxy-N-methylbenzamide
CID 70967812
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 3-(4-ethoxyphenoxy)propanoate
CID 55317623
N-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide
CID 86783260

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate?
The IUPAC name of 2-(diethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate (CID 6100743) is 2-(diethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate.
What is the SMILES notation for 2-(diethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate?
The canonical SMILES for 2-(diethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate is CCOc1ccc(N(C(=O)c2ccccc2)[C@@H](C)C(=O)OCCN(CC)CC)cc1.
What is the InChIKey of 2-(diethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate?
The InChIKey is IVXFVLAPRUCYBK-IBGZPJMESA-N. The full InChI is InChI=1S/C24H32N2O4/c1-5-25(6-2)17-18-30-24(28)19(4)26(23(27)20-11-9-8-10-12-20)21-13-15-22(16-14-21)29-7-3/h8-16,19H,5-7,17-18H2,1-4H3/t19-/m0/s1.
What are the key properties of 2-(diethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate?
2-(diethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate has a molecular weight of 412.53 g/mol, XLogP of 4.01, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate is sourced from PubChem (CID 6100743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).