N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide

C14H21NO3 — CID 79017080

IUPACN-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
SMILESCCOc1ccc(CN(C)C(=O)CCCO)cc1
InChIInChI=1S/C14H21NO3/c1-3-18-13-8-6-12(7-9-13)11-15(2)14(17)5-4-10-16/h6-9,16H,3-5,10-11H2,1-2H3
InChIKeyRCFGKUDQHBFCHL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.82
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide

N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide (PubChem CID 79017080) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
PubChem CID79017080
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
SMILESCCOc1ccc(CN(C)C(=O)CCCO)cc1
InChIInChI=1S/C14H21NO3/c1-3-18-13-8-6-12(7-9-13)11-15(2)14(17)5-4-10-16/h6-9,16H,3-5,10-11H2,1-2H3
InChIKeyRCFGKUDQHBFCHL-UHFFFAOYSA-N
XLogP1.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(4-ethoxyphenyl)methyl]-N-methylpentanamide
CID 107909192
7-amino-N-[(4-ethoxyphenyl)methyl]-N-methylheptanamide
CID 60938150
4-[3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]benzoic acid
CID 119179429
N-[4-[(4-ethoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134037247
3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide
CID 60936867
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936656
5-amino-N-[(4-ethoxyphenyl)methyl]-N,4-dimethylpentanamide
CID 82012601
(2R)-2-amino-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119266766
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78779679
N-[(4-ethoxyphenyl)methyl]-2-ethyl-N-methylbutanamide
CID 78780749
2-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 115569435

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide (CID 79017080) is N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide is CCOc1ccc(CN(C)C(=O)CCCO)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide?
The InChIKey is RCFGKUDQHBFCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-18-13-8-6-12(7-9-13)11-15(2)14(17)5-4-10-16/h6-9,16H,3-5,10-11H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide?
N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide is sourced from PubChem (CID 79017080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).