1-[4-[(1R)-1-(3-propan-2-yloxypropanoylamino)ethyl]phenyl]triazole-4-carboxamide

C17H23N5O3 — CID 94802267

IUPAC1-[4-[(1R)-1-(3-propan-2-yloxypropanoylamino)ethyl]phenyl]triazole-4-carboxamide
SMILESCC(C)OCCC(=O)N[C@H](C)c1ccc(-n2cc(C(N)=O)nn2)cc1
InChIInChI=1S/C17H23N5O3/c1-11(2)25-9-8-16(23)19-12(3)13-4-6-14(7-5-13)22-10-15(17(18)24)20-21-22/h4-7,10-12H,8-9H2,1-3H3,(H2,18,24)(H,19,23)/t12-/m1/s1
InChIKeyQOHKGJUPGIFMJO-GFCCVEGCSA-N
MW345.40 g/mol
LogP1.36
Rot. Bonds8

About 1-[4-[(1R)-1-(3-propan-2-yloxypropanoylamino)ethyl]phenyl]triazole-4-carboxamide

1-[4-[(1R)-1-(3-propan-2-yloxypropanoylamino)ethyl]phenyl]triazole-4-carboxamide (PubChem CID 94802267) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[4-[(1R)-1-(3-propan-2-yloxypropanoylamino)ethyl]phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(1R)-1-(3-propan-2-yloxypropanoylamino)ethyl]phenyl]triazole-4-carboxamide
PubChem CID94802267
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-[4-[(1R)-1-(3-propan-2-yloxypropanoylamino)ethyl]phenyl]triazole-4-carboxamide
SMILESCC(C)OCCC(=O)N[C@H](C)c1ccc(-n2cc(C(N)=O)nn2)cc1
InChIInChI=1S/C17H23N5O3/c1-11(2)25-9-8-16(23)19-12(3)13-4-6-14(7-5-13)22-10-15(17(18)24)20-21-22/h4-7,10-12H,8-9H2,1-3H3,(H2,18,24)(H,19,23)/t12-/m1/s1
InChIKeyQOHKGJUPGIFMJO-GFCCVEGCSA-N
XLogP1.36
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[1-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]ethyl]phenyl]triazole-4-carboxamide
CID 166423135
1-[4-[(1R)-1-[[2-[(2R)-oxolan-2-yl]acetyl]amino]ethyl]phenyl]triazole-4-carboxamide
CID 94032802
1-[4-[(1S)-1-(naphthalene-1-carbonylamino)ethyl]phenyl]triazole-4-carboxamide
CID 94063227
1-[4-[1-[(2-oxoimidazolidine-4-carbonyl)amino]ethyl]phenyl]triazole-4-carboxamide
CID 167963225
1-[4-[(1R)-1-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]ethyl]phenyl]triazole-4-carboxamide
CID 94805716
1-[4-[1-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]ethyl]phenyl]triazole-4-carboxamide
CID 56829402
1-(4-propan-2-ylphenyl)triazole-4-carbohydrazide
CID 112708395
3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
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N-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propan-2-yloxypropanamide
CID 95282952
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1-(4-ethylphenyl)triazole-4-carboxamide
CID 95183306
4-phenoxy-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]butanamide
CID 97088570
3-(4-methoxyphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 24644422

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-(3-propan-2-yloxypropanoylamino)ethyl]phenyl]triazole-4-carboxamide?
The IUPAC name of 1-[4-[(1R)-1-(3-propan-2-yloxypropanoylamino)ethyl]phenyl]triazole-4-carboxamide (CID 94802267) is 1-[4-[(1R)-1-(3-propan-2-yloxypropanoylamino)ethyl]phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[4-[(1R)-1-(3-propan-2-yloxypropanoylamino)ethyl]phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-[4-[(1R)-1-(3-propan-2-yloxypropanoylamino)ethyl]phenyl]triazole-4-carboxamide is CC(C)OCCC(=O)N[C@H](C)c1ccc(-n2cc(C(N)=O)nn2)cc1.
What is the InChIKey of 1-[4-[(1R)-1-(3-propan-2-yloxypropanoylamino)ethyl]phenyl]triazole-4-carboxamide?
The InChIKey is QOHKGJUPGIFMJO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11(2)25-9-8-16(23)19-12(3)13-4-6-14(7-5-13)22-10-15(17(18)24)20-21-22/h4-7,10-12H,8-9H2,1-3H3,(H2,18,24)(H,19,23)/t12-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-(3-propan-2-yloxypropanoylamino)ethyl]phenyl]triazole-4-carboxamide?
1-[4-[(1R)-1-(3-propan-2-yloxypropanoylamino)ethyl]phenyl]triazole-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-(3-propan-2-yloxypropanoylamino)ethyl]phenyl]triazole-4-carboxamide is sourced from PubChem (CID 94802267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).