[3-hydroxy-4-(2-methylpropylamino)phenyl] N-butan-2-ylcarbamate

C15H24N2O3 — CID 68712751

IUPAC[3-hydroxy-4-(2-methylpropylamino)phenyl] N-butan-2-ylcarbamate
SMILESCCC(C)NC(=O)Oc1ccc(NCC(C)C)c(O)c1
InChIInChI=1S/C15H24N2O3/c1-5-11(4)17-15(19)20-12-6-7-13(14(18)8-12)16-9-10(2)3/h6-8,10-11,16,18H,5,9H2,1-4H3,(H,17,19)
InChIKeyIOERACGEZYKGFI-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.35
Rot. Bonds6

About [3-hydroxy-4-(2-methylpropylamino)phenyl] N-butan-2-ylcarbamate

[3-hydroxy-4-(2-methylpropylamino)phenyl] N-butan-2-ylcarbamate (PubChem CID 68712751) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is [3-hydroxy-4-(2-methylpropylamino)phenyl] N-butan-2-ylcarbamate.

Molecular Properties

Compound Name[3-hydroxy-4-(2-methylpropylamino)phenyl] N-butan-2-ylcarbamate
PubChem CID68712751
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name[3-hydroxy-4-(2-methylpropylamino)phenyl] N-butan-2-ylcarbamate
SMILESCCC(C)NC(=O)Oc1ccc(NCC(C)C)c(O)c1
InChIInChI=1S/C15H24N2O3/c1-5-11(4)17-15(19)20-12-6-7-13(14(18)8-12)16-9-10(2)3/h6-8,10-11,16,18H,5,9H2,1-4H3,(H,17,19)
InChIKeyIOERACGEZYKGFI-UHFFFAOYSA-N
XLogP3.35
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(2R)-butan-2-yl]-2-[(2-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanamide
CID 94962141
(3-chlorophenyl) N-pentan-2-ylcarbamate
CID 174677253
O-[[4-(butan-2-ylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate
CID 174422223
N-[(2S)-butan-2-yl]-4-propan-2-yloxybenzamide
CID 40772005
N-[(2R)-butan-2-yl]-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 126213893
2-(4-bromo-3-methylphenoxy)-N-butan-2-ylacetamide
CID 2949556
N'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide
CID 108505393
4-bromo-2-ethyl-N-(2-methylpropyl)aniline
CID 81292281
[4-(butan-2-ylcarbamoyloxy)-1,2,5-oxadiazol-3-yl] N-butan-2-ylcarbamate
CID 70525644
phenyl N-[(2S)-4-amino-1-[[(2R)-butan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
CID 41329856
phenyl N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 126010648
N-butan-2-yl-2-(2,4-dimethoxyanilino)propanamide
CID 43113547

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-4-(2-methylpropylamino)phenyl] N-butan-2-ylcarbamate?
The IUPAC name of [3-hydroxy-4-(2-methylpropylamino)phenyl] N-butan-2-ylcarbamate (CID 68712751) is [3-hydroxy-4-(2-methylpropylamino)phenyl] N-butan-2-ylcarbamate.
What is the SMILES notation for [3-hydroxy-4-(2-methylpropylamino)phenyl] N-butan-2-ylcarbamate?
The canonical SMILES for [3-hydroxy-4-(2-methylpropylamino)phenyl] N-butan-2-ylcarbamate is CCC(C)NC(=O)Oc1ccc(NCC(C)C)c(O)c1.
What is the InChIKey of [3-hydroxy-4-(2-methylpropylamino)phenyl] N-butan-2-ylcarbamate?
The InChIKey is IOERACGEZYKGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-11(4)17-15(19)20-12-6-7-13(14(18)8-12)16-9-10(2)3/h6-8,10-11,16,18H,5,9H2,1-4H3,(H,17,19).
What are the key properties of [3-hydroxy-4-(2-methylpropylamino)phenyl] N-butan-2-ylcarbamate?
[3-hydroxy-4-(2-methylpropylamino)phenyl] N-butan-2-ylcarbamate has a molecular weight of 280.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-4-(2-methylpropylamino)phenyl] N-butan-2-ylcarbamate is sourced from PubChem (CID 68712751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).