tert-butylcarbamic acid;N-(3-hydroxyphenyl)-2-methylpentanamide

C17H28N2O4 — CID 21117438

IUPACtert-butylcarbamic acid;N-(3-hydroxyphenyl)-2-methylpentanamide
SMILESCC(C)(C)NC(=O)O.CCCC(C)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C12H17NO2.C5H11NO2/c1-3-5-9(2)12(15)13-10-6-4-7-11(14)8-10;1-5(2,3)6-4(7)8/h4,6-9,14H,3,5H2,1-2H3,(H,13,15);6H,1-3H3,(H,7,8)
InChIKeySKMHNFKJKYOWSO-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.82
Rot. Bonds4

About tert-butylcarbamic acid;N-(3-hydroxyphenyl)-2-methylpentanamide

tert-butylcarbamic acid;N-(3-hydroxyphenyl)-2-methylpentanamide (PubChem CID 21117438) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is tert-butylcarbamic acid;N-(3-hydroxyphenyl)-2-methylpentanamide.

Molecular Properties

Compound Nametert-butylcarbamic acid;N-(3-hydroxyphenyl)-2-methylpentanamide
PubChem CID21117438
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Nametert-butylcarbamic acid;N-(3-hydroxyphenyl)-2-methylpentanamide
SMILESCC(C)(C)NC(=O)O.CCCC(C)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C12H17NO2.C5H11NO2/c1-3-5-9(2)12(15)13-10-6-4-7-11(14)8-10;1-5(2,3)6-4(7)8/h4,6-9,14H,3,5H2,1-2H3,(H,13,15);6H,1-3H3,(H,7,8)
InChIKeySKMHNFKJKYOWSO-UHFFFAOYSA-N
XLogP3.82
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-phenylpentanamide
CID 4627801
2-[7,13-bis[(3-hydroxyphenyl)carbamoyl]octadecyl]-9-methyldecanedioic acid
CID 146333454
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]pentanamide
CID 43507752
N-(3-hydroxyphenyl)-2,3,3-trimethylbutanamide
CID 70969144
ethyl 3-[[(2S)-2-methylpentanoyl]amino]benzoate
CID 670808
N-(4-hydroxyphenyl)-2-methylpentanamide
CID 43210200
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
2-methyl-N-[3-(sulfamoylamino)phenyl]pentanamide
CID 61128214
(2R)-2-hydroxy-N-(3-hydroxyphenyl)propanamide
CID 130735484
N-(2,6-diethylphenyl)-2-methylpentanamide
CID 2952555

Frequently Asked Questions

What is the IUPAC name of tert-butylcarbamic acid;N-(3-hydroxyphenyl)-2-methylpentanamide?
The IUPAC name of tert-butylcarbamic acid;N-(3-hydroxyphenyl)-2-methylpentanamide (CID 21117438) is tert-butylcarbamic acid;N-(3-hydroxyphenyl)-2-methylpentanamide.
What is the SMILES notation for tert-butylcarbamic acid;N-(3-hydroxyphenyl)-2-methylpentanamide?
The canonical SMILES for tert-butylcarbamic acid;N-(3-hydroxyphenyl)-2-methylpentanamide is CC(C)(C)NC(=O)O.CCCC(C)C(=O)Nc1cccc(O)c1.
What is the InChIKey of tert-butylcarbamic acid;N-(3-hydroxyphenyl)-2-methylpentanamide?
The InChIKey is SKMHNFKJKYOWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.C5H11NO2/c1-3-5-9(2)12(15)13-10-6-4-7-11(14)8-10;1-5(2,3)6-4(7)8/h4,6-9,14H,3,5H2,1-2H3,(H,13,15);6H,1-3H3,(H,7,8).
What are the key properties of tert-butylcarbamic acid;N-(3-hydroxyphenyl)-2-methylpentanamide?
tert-butylcarbamic acid;N-(3-hydroxyphenyl)-2-methylpentanamide has a molecular weight of 324.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcarbamic acid;N-(3-hydroxyphenyl)-2-methylpentanamide is sourced from PubChem (CID 21117438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).