N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide

C13H19NO2 — CID 107736260

IUPACN-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
SMILESCCN(C(=O)CC(C)C)c1cccc(O)c1
InChIInChI=1S/C13H19NO2/c1-4-14(13(16)8-10(2)3)11-6-5-7-12(15)9-11/h5-7,9-10,15H,4,8H2,1-3H3
InChIKeyXNAIAIPHSCPCTL-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.79
Rot. Bonds4

About N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide

N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide (PubChem CID 107736260) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
PubChem CID107736260
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
SMILESCCN(C(=O)CC(C)C)c1cccc(O)c1
InChIInChI=1S/C13H19NO2/c1-4-14(13(16)8-10(2)3)11-6-5-7-12(15)9-11/h5-7,9-10,15H,4,8H2,1-3H3
InChIKeyXNAIAIPHSCPCTL-UHFFFAOYSA-N
XLogP2.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-ethyl-N-(3-hydroxyphenyl)acetamide
CID 107734970
N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide
CID 107736354
4-amino-N-ethyl-N-(3-hydroxyphenyl)-3-methoxybutanamide
CID 107735030
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
N-ethyl-N,2-bis(3-hydroxyphenyl)acetamide
CID 107735678
propan-2-yl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734181
N-ethyl-2-(2-hydroxyphenyl)-N-(3-hydroxyphenyl)acetamide
CID 107735690
N-ethyl-N-(3-hydroxyphenyl)heptanamide
CID 107736474
4-(2-aminoethyl)-N-ethyl-N-(3-hydroxyphenyl)-5-methylhexanamide
CID 107734933
methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
ethyl 2-amino-3-(N-ethyl-3-hydroxyanilino)-3-oxopropanoate
CID 107735006
6-amino-N-ethyl-N-(3-hydroxyphenyl)-2-methylheptanamide
CID 107734856

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide?
The IUPAC name of N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide (CID 107736260) is N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide?
The canonical SMILES for N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide is CCN(C(=O)CC(C)C)c1cccc(O)c1.
What is the InChIKey of N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide?
The InChIKey is XNAIAIPHSCPCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-14(13(16)8-10(2)3)11-6-5-7-12(15)9-11/h5-7,9-10,15H,4,8H2,1-3H3.
What are the key properties of N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide?
N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide has a molecular weight of 221.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 107736260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).