ethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate

C24H33N3O5 — CID 46480603

IUPACethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1ccc(OCc2ccncc2)c(OCC)c1)CC(C)C
InChIInChI=1S/C24H33N3O5/c1-5-30-22-14-19(7-8-21(22)32-16-18-9-11-25-12-10-18)23(28)26-15-20(13-17(3)4)27-24(29)31-6-2/h7-12,14,17,20H,5-6,13,15-16H2,1-4H3,(H,26,28)(H,27,29)
InChIKeySFTFQFFGPAUUBH-UHFFFAOYSA-N
MW443.54 g/mol
LogP3.95
Rot. Bonds12

About ethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate

ethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate (PubChem CID 46480603) has the molecular formula C24H33N3O5 and a molecular weight of 443.54 g/mol. Its IUPAC name is ethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate
PubChem CID46480603
Molecular FormulaC24H33N3O5
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC Nameethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate
SMILESCCOC(=O)NC(CNC(=O)c1ccc(OCc2ccncc2)c(OCC)c1)CC(C)C
InChIInChI=1S/C24H33N3O5/c1-5-30-22-14-19(7-8-21(22)32-16-18-9-11-25-12-10-18)23(28)26-15-20(13-17(3)4)27-24(29)31-6-2/h7-12,14,17,20H,5-6,13,15-16H2,1-4H3,(H,26,28)(H,27,29)
InChIKeySFTFQFFGPAUUBH-UHFFFAOYSA-N
XLogP3.95
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl N-[1-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate
CID 55654844
N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133
3-ethoxy-N-(6-methylheptan-2-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 55557389
ethyl N-[(2S)-1-[(4-fluorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38929597
3-ethoxy-N'-(4-ethylbenzoyl)-4-(pyridin-4-ylmethoxy)benzohydrazide
CID 55576010
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
ethyl N-[(2R)-4-methyl-1-(pyrimidine-2-carbonylamino)pentan-2-yl]carbamate
CID 95352835
ethyl N-[(2S)-1-[(3-cyanobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 38931311
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 43054762
N-[2-(3-bromophenoxy)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55976654
ethyl N-[4-methyl-1-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]pentan-2-yl]carbamate
CID 55654786
N-(2,4-dimethylphenyl)-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 25337421

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate?
The IUPAC name of ethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate (CID 46480603) is ethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate?
The canonical SMILES for ethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate is CCOC(=O)NC(CNC(=O)c1ccc(OCc2ccncc2)c(OCC)c1)CC(C)C.
What is the InChIKey of ethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate?
The InChIKey is SFTFQFFGPAUUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5/c1-5-30-22-14-19(7-8-21(22)32-16-18-9-11-25-12-10-18)23(28)26-15-20(13-17(3)4)27-24(29)31-6-2/h7-12,14,17,20H,5-6,13,15-16H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of ethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate?
ethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate has a molecular weight of 443.54 g/mol, XLogP of 3.95, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 46480603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).