N'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide

C24H30N4O5 — CID 655529

IUPACN'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide
SMILESCCOc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C24H30N4O5/c1-2-32-20-10-4-3-9-19(20)28(17-23(30)26-16-18-8-7-15-33-18)24(31)13-12-22(29)27-21-11-5-6-14-25-21/h3-6,9-11,14,18H,2,7-8,12-13,15-17H2,1H3,(H,26,30)(H,25,27,29)
InChIKeyNMLQMDKFCPRUTF-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.53
Rot. Bonds11

About N'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide

N'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide (PubChem CID 655529) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is N'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide.

Molecular Properties

Compound NameN'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide
PubChem CID655529
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC NameN'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide
SMILESCCOc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1ccccn1
InChIInChI=1S/C24H30N4O5/c1-2-32-20-10-4-3-9-19(20)28(17-23(30)26-16-18-8-7-15-33-18)24(31)13-12-22(29)27-21-11-5-6-14-25-21/h3-6,9-11,14,18H,2,7-8,12-13,15-17H2,1H3,(H,26,30)(H,25,27,29)
InChIKeyNMLQMDKFCPRUTF-UHFFFAOYSA-N
XLogP2.53
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide with MolForge

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Related Compounds

N'-[(4-fluorophenyl)methyl]-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide
CID 3204890
2-(N-acetyl-2-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113169027
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2947381
3-[(2S)-oxolan-2-yl]-N-pyridin-2-ylpropanamide
CID 51938440
2-(N-acetyl-2-propan-2-yloxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113174207
N'-(2,5-dimethylphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 3205678
1-(2-ethoxyphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47195849
N'-(2-methoxyphenyl)-N'-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-N-pyridin-2-ylbutanediamide
CID 648577
2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167272
2-(oxolan-2-yl)-N-pyridin-2-ylacetamide
CID 110696665
methyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobutanoyl]-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]benzoate
CID 3210834
2-(N-acetyl-4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113173863

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide?
The IUPAC name of N'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide (CID 655529) is N'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide.
What is the SMILES notation for N'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide?
The canonical SMILES for N'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide is CCOc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1ccccn1.
What is the InChIKey of N'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide?
The InChIKey is NMLQMDKFCPRUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-2-32-20-10-4-3-9-19(20)28(17-23(30)26-16-18-8-7-15-33-18)24(31)13-12-22(29)27-21-11-5-6-14-25-21/h3-6,9-11,14,18H,2,7-8,12-13,15-17H2,1H3,(H,26,30)(H,25,27,29).
What are the key properties of N'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide?
N'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide has a molecular weight of 454.53 g/mol, XLogP of 2.53, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyphenyl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-pyridin-2-ylbutanediamide is sourced from PubChem (CID 655529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).