N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide

C26H26N6O2 — CID 1083726

IUPACN-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide
SMILESCCc1ccc(NC(=O)Cn2nnnc2-c2ccccc2NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C26H26N6O2/c1-2-19-12-15-21(16-13-19)27-25(34)18-32-26(29-30-31-32)22-10-6-7-11-23(22)28-24(33)17-14-20-8-4-3-5-9-20/h3-13,15-16H,2,14,17-18H2,1H3,(H,27,34)(H,28,33)
InChIKeyLKMUMLQQJUGHSN-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.11
Rot. Bonds9

About N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide

N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide (PubChem CID 1083726) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide
PubChem CID1083726
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC NameN-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide
SMILESCCc1ccc(NC(=O)Cn2nnnc2-c2ccccc2NC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C26H26N6O2/c1-2-19-12-15-21(16-13-19)27-25(34)18-32-26(29-30-31-32)22-10-6-7-11-23(22)28-24(33)17-14-20-8-4-3-5-9-20/h3-13,15-16H,2,14,17-18H2,1H3,(H,27,34)(H,28,33)
InChIKeyLKMUMLQQJUGHSN-UHFFFAOYSA-N
XLogP4.11
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
2-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]acetic acid
CID 45346474
2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide
CID 17233586
N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54820849
N-(4-ethylphenyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 84569581
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113120822
3-(4-ethylphenyl)-N-[2-(hydroxymethyl)phenyl]propanamide
CID 61497838
N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502
N-(2-methoxyphenyl)-2-(5-phenyltetrazol-1-yl)acetamide
CID 9419704
N-[4-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839402
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide (CID 1083726) is N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide is CCc1ccc(NC(=O)Cn2nnnc2-c2ccccc2NC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide?
The InChIKey is LKMUMLQQJUGHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-2-19-12-15-21(16-13-19)27-25(34)18-32-26(29-30-31-32)22-10-6-7-11-23(22)28-24(33)17-14-20-8-4-3-5-9-20/h3-13,15-16H,2,14,17-18H2,1H3,(H,27,34)(H,28,33).
What are the key properties of N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide?
N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide has a molecular weight of 454.53 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 1083726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).