1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea

C15H22N6O2 — CID 95317921

IUPAC1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea
SMILESCC[C@@H](C)N(C)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1
InChIInChI=1S/C15H22N6O2/c1-6-10(2)20(4)15(22)16-12-7-8-14(23-5)13(9-12)21-11(3)17-18-19-21/h7-10H,6H2,1-5H3,(H,16,22)/t10-/m1/s1
InChIKeyAYKKDTZTCYAUHE-SNVBAGLBSA-N
MW318.38 g/mol
LogP2.24
Rot. Bonds5

About 1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea

1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea (PubChem CID 95317921) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea
PubChem CID95317921
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea
SMILESCC[C@@H](C)N(C)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1
InChIInChI=1S/C15H22N6O2/c1-6-10(2)20(4)15(22)16-12-7-8-14(23-5)13(9-12)21-11(3)17-18-19-21/h7-10H,6H2,1-5H3,(H,16,22)/t10-/m1/s1
InChIKeyAYKKDTZTCYAUHE-SNVBAGLBSA-N
XLogP2.24
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 119313707
1-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119766630
4-bromo-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56586278
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 119313715
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 52866977
1-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-(2-methoxy-1-phenylethyl)urea
CID 136522782
4-[[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122078811
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 134813277
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-3-pyridin-2-ylpropanamide
CID 134813273
(3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95295849
3-[[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086478
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-2-(oxolan-3-yl)acetamide
CID 136527239

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea?
The IUPAC name of 1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea (CID 95317921) is 1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea.
What is the SMILES notation for 1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea?
The canonical SMILES for 1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea is CC[C@@H](C)N(C)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1.
What is the InChIKey of 1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea?
The InChIKey is AYKKDTZTCYAUHE-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-6-10(2)20(4)15(22)16-12-7-8-14(23-5)13(9-12)21-11(3)17-18-19-21/h7-10H,6H2,1-5H3,(H,16,22)/t10-/m1/s1.
What are the key properties of 1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea?
1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea has a molecular weight of 318.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-butan-2-yl]-3-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-1-methylurea is sourced from PubChem (CID 95317921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).