N-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-2-oxoethyl]butanamide

C24H29N5O6 — CID 59430200

IUPACN-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1cc(-c2n[nH]nc2-c2cc(OC)c(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C24H29N5O6/c1-6-7-20(30)25-13-21(31)26-16-10-14(8-9-17(16)32-2)22-23(28-29-27-22)15-11-18(33-3)24(35-5)19(12-15)34-4/h8-12H,6-7,13H2,1-5H3,(H,25,30)(H,26,31)(H,27,28,29)
InChIKeyLPMVDWGMRQKSJO-UHFFFAOYSA-N
MW483.53 g/mol
LogP3.03
Rot. Bonds11

About N-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-2-oxoethyl]butanamide

N-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-2-oxoethyl]butanamide (PubChem CID 59430200) has the molecular formula C24H29N5O6 and a molecular weight of 483.53 g/mol. Its IUPAC name is N-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-2-oxoethyl]butanamide
PubChem CID59430200
Molecular FormulaC24H29N5O6
Molecular Weight483.53 g/mol
Exact Mass483.21
IUPAC NameN-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1cc(-c2n[nH]nc2-c2cc(OC)c(OC)c(OC)c2)ccc1OC
InChIInChI=1S/C24H29N5O6/c1-6-7-20(30)25-13-21(31)26-16-10-14(8-9-17(16)32-2)22-23(28-29-27-22)15-11-18(33-3)24(35-5)19(12-15)34-4/h8-12H,6-7,13H2,1-5H3,(H,25,30)(H,26,31)(H,27,28,29)
InChIKeyLPMVDWGMRQKSJO-UHFFFAOYSA-N
XLogP3.03
TPSA136.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-methoxyethyl N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]carbamate
CID 59430320
[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 87103618
[5-amino-1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-1,5-dioxopentan-2-yl]azanium
CID 59430131
4-[[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 58712063
[3-(4-hydroxyphenyl)-1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-1-oxopropan-2-yl]azanium
CID 59430136
2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]-4-methylsulfanylbutanamide
CID 59430336
(2S)-2-amino-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]-3-phenylpropanamide
CID 71218535
2-amino-3-(4-hydroxyphenyl)-N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]propanamide
CID 59430137
1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone
CID 59430178
N-[2-(4-chloro-2,5-dimethoxyanilino)-2-oxoethyl]butanamide
CID 113001547
4-[[2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)triazol-4-yl]anilino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 59430164
N-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-3H-pyrazol-4-yl]phenyl]-4-oxoheptanamide
CID 58066576

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-2-oxoethyl]butanamide?
The IUPAC name of N-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-2-oxoethyl]butanamide (CID 59430200) is N-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)Nc1cc(-c2n[nH]nc2-c2cc(OC)c(OC)c(OC)c2)ccc1OC.
What is the InChIKey of N-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-2-oxoethyl]butanamide?
The InChIKey is LPMVDWGMRQKSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O6/c1-6-7-20(30)25-13-21(31)26-16-10-14(8-9-17(16)32-2)22-23(28-29-27-22)15-11-18(33-3)24(35-5)19(12-15)34-4/h8-12H,6-7,13H2,1-5H3,(H,25,30)(H,26,31)(H,27,28,29).
What are the key properties of N-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-2-oxoethyl]butanamide?
N-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-2-oxoethyl]butanamide has a molecular weight of 483.53 g/mol, XLogP of 3.03, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]anilino]-2-oxoethyl]butanamide is sourced from PubChem (CID 59430200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).