[(2R)-3-methylbutan-2-yl] N-[5-methyl-3-(4-phenylphenyl)triazol-4-yl]carbamate

C21H24N4O2 — CID 141383701

IUPAC[(2R)-3-methylbutan-2-yl] N-[5-methyl-3-(4-phenylphenyl)triazol-4-yl]carbamate
SMILESCc1nnn(-c2ccc(-c3ccccc3)cc2)c1NC(=O)O[C@H](C)C(C)C
InChIInChI=1S/C21H24N4O2/c1-14(2)16(4)27-21(26)22-20-15(3)23-24-25(20)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-14,16H,1-4H3,(H,22,26)/t16-/m1/s1
InChIKeyFZROACFRQDFRFF-MRXNPFEDSA-N
MW364.45 g/mol
LogP4.84
Rot. Bonds5

About [(2R)-3-methylbutan-2-yl] N-[5-methyl-3-(4-phenylphenyl)triazol-4-yl]carbamate

[(2R)-3-methylbutan-2-yl] N-[5-methyl-3-(4-phenylphenyl)triazol-4-yl]carbamate (PubChem CID 141383701) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [(2R)-3-methylbutan-2-yl] N-[5-methyl-3-(4-phenylphenyl)triazol-4-yl]carbamate.

Molecular Properties

Compound Name[(2R)-3-methylbutan-2-yl] N-[5-methyl-3-(4-phenylphenyl)triazol-4-yl]carbamate
PubChem CID141383701
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[(2R)-3-methylbutan-2-yl] N-[5-methyl-3-(4-phenylphenyl)triazol-4-yl]carbamate
SMILESCc1nnn(-c2ccc(-c3ccccc3)cc2)c1NC(=O)O[C@H](C)C(C)C
InChIInChI=1S/C21H24N4O2/c1-14(2)16(4)27-21(26)22-20-15(3)23-24-25(20)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-14,16H,1-4H3,(H,22,26)/t16-/m1/s1
InChIKeyFZROACFRQDFRFF-MRXNPFEDSA-N
XLogP4.84
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-[4-methyl-5-(propan-2-yloxycarbonylamino)triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 72709716
methyl 2-methyl-2-[4-[4-[4-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]triazol-1-yl]phenyl]phenyl]propanoate
CID 118060392
1-[4-[4-[5-[[(1R)-1-[3-(fluoromethyl)phenyl]ethoxy]carbonylamino]-4-methyltriazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 118070565
2-[2,6-difluoro-4-[4-[4-methyl-5-(1-phenylethoxycarbonylamino)triazol-1-yl]phenyl]phenoxy]pyridine-3-carboxylic acid
CID 123646758
3-[2,6-difluoro-4-[4-[4-methyl-5-(1-phenylethoxycarbonylamino)triazol-1-yl]phenyl]phenoxy]pyridine-2-carboxylic acid
CID 123212181
2-[4-[4-[5-[1-[4-[5-[4-(carboxymethyl)phenyl]-2-[5-[1-(2-chlorophenyl)ethoxycarbonylamino]-1-methylpyrazol-4-yl]phenyl]-2-chlorophenyl]ethoxycarbonylamino]-4-methyltriazol-1-yl]phenyl]phenyl]acetic acid
CID 123354794
methyl 1-[4-[4-[4-methyl-5-[1-[3-(trifluoromethyl)phenyl]ethoxycarbonylamino]triazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 118060202
2-[4-[4-[4-methyl-5-(1-phenylethoxycarbonylamino)pyrazol-1-yl]phenyl]phenyl]acetic acid
CID 71266530
[(1R)-1-phenylethyl] N-[3-[4-[4-[1-(dihydroxymethyl)cyclopropyl]phenyl]-2-methoxyphenyl]-5-methyltriazol-4-yl]carbamate
CID 163687683
1-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]ethanamine
CID 62254228
methyl 1-[4-[4-[5-[[(1R)-2,3-dihydro-1H-inden-1-yl]oxycarbonylamino]-4-methyltriazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 118060035
disodium;acetonitrile;carbon dioxide;[1-[4-[4-[5-[[(1R)-1-(2-chlorophenyl)ethoxy]carbonylamino]-4-methyltriazol-1-yl]phenyl]phenyl]cyclopropyl] formate;[(1R)-1-(2-chlorophenyl)ethyl] N-[3-[4-(4-cyclopropylphenyl)phenyl]-5-methyltriazol-4-yl]carbamate;hydroxide
CID 157228296

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-methylbutan-2-yl] N-[5-methyl-3-(4-phenylphenyl)triazol-4-yl]carbamate?
The IUPAC name of [(2R)-3-methylbutan-2-yl] N-[5-methyl-3-(4-phenylphenyl)triazol-4-yl]carbamate (CID 141383701) is [(2R)-3-methylbutan-2-yl] N-[5-methyl-3-(4-phenylphenyl)triazol-4-yl]carbamate.
What is the SMILES notation for [(2R)-3-methylbutan-2-yl] N-[5-methyl-3-(4-phenylphenyl)triazol-4-yl]carbamate?
The canonical SMILES for [(2R)-3-methylbutan-2-yl] N-[5-methyl-3-(4-phenylphenyl)triazol-4-yl]carbamate is Cc1nnn(-c2ccc(-c3ccccc3)cc2)c1NC(=O)O[C@H](C)C(C)C.
What is the InChIKey of [(2R)-3-methylbutan-2-yl] N-[5-methyl-3-(4-phenylphenyl)triazol-4-yl]carbamate?
The InChIKey is FZROACFRQDFRFF-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(2)16(4)27-21(26)22-20-15(3)23-24-25(20)19-12-10-18(11-13-19)17-8-6-5-7-9-17/h5-14,16H,1-4H3,(H,22,26)/t16-/m1/s1.
What are the key properties of [(2R)-3-methylbutan-2-yl] N-[5-methyl-3-(4-phenylphenyl)triazol-4-yl]carbamate?
[(2R)-3-methylbutan-2-yl] N-[5-methyl-3-(4-phenylphenyl)triazol-4-yl]carbamate has a molecular weight of 364.45 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-methylbutan-2-yl] N-[5-methyl-3-(4-phenylphenyl)triazol-4-yl]carbamate is sourced from PubChem (CID 141383701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).