(2S)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide

C17H24N4O3 — CID 95981358

IUPAC(2S)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
SMILESCCc1nncn1CCNC(=O)[C@H](C)OCc1cccc(OC)c1
InChIInChI=1S/C17H24N4O3/c1-4-16-20-19-12-21(16)9-8-18-17(22)13(2)24-11-14-6-5-7-15(10-14)23-3/h5-7,10,12-13H,4,8-9,11H2,1-3H3,(H,18,22)/t13-/m0/s1
InChIKeyLHQCIFVCIOJBHB-ZDUSSCGKSA-N
MW332.40 g/mol
LogP1.57
Rot. Bonds9

About (2S)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide

(2S)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide (PubChem CID 95981358) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2S)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
PubChem CID95981358
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name(2S)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
SMILESCCc1nncn1CCNC(=O)[C@H](C)OCc1cccc(OC)c1
InChIInChI=1S/C17H24N4O3/c1-4-16-20-19-12-21(16)9-8-18-17(22)13(2)24-11-14-6-5-7-15(10-14)23-3/h5-7,10,12-13H,4,8-9,11H2,1-3H3,(H,18,22)/t13-/m0/s1
InChIKeyLHQCIFVCIOJBHB-ZDUSSCGKSA-N
XLogP1.57
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111513413
1-benzyl-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methyl]guanidine
CID 111513418
(2R)-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide
CID 95335268
N-(3-aminobutyl)-2-[(3-methoxyphenyl)methoxy]propanamide;hydrochloride
CID 119497040
1-(3-ethoxypropyl)-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methyl]guanidine
CID 111513426
2-[(3-methoxyphenyl)methoxy]-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]propanamide
CID 60599675
(2S)-2-[(3-methoxyphenyl)methoxy]-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94024629
2-[[3-(difluoromethoxy)phenyl]methyl]-1-ethyl-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine
CID 111700973
1-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 111513404
1-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111698413
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-methylguanidine
CID 111701073
2-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-ethyl-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine
CID 111698931

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The IUPAC name of (2S)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide (CID 95981358) is (2S)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide.
What is the SMILES notation for (2S)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The canonical SMILES for (2S)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide is CCc1nncn1CCNC(=O)[C@H](C)OCc1cccc(OC)c1.
What is the InChIKey of (2S)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
The InChIKey is LHQCIFVCIOJBHB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-4-16-20-19-12-21(16)9-8-18-17(22)13(2)24-11-14-6-5-7-15(10-14)23-3/h5-7,10,12-13H,4,8-9,11H2,1-3H3,(H,18,22)/t13-/m0/s1.
What are the key properties of (2S)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide?
(2S)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide has a molecular weight of 332.40 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2-[(3-methoxyphenyl)methoxy]propanamide is sourced from PubChem (CID 95981358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).