N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide

C14H21NO3 — CID 78931016

IUPACN-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide
SMILESCCCCNC(=O)COc1ccc([C@H](C)O)cc1
InChIInChI=1S/C14H21NO3/c1-3-4-9-15-14(17)10-18-13-7-5-12(6-8-13)11(2)16/h5-8,11,16H,3-4,9-10H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyNXFSUKYXIRZRMH-NSHDSACASA-N
MW251.33 g/mol
LogP2.04
Rot. Bonds7

About N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide

N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide (PubChem CID 78931016) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide
PubChem CID78931016
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide
SMILESCCCCNC(=O)COc1ccc([C@H](C)O)cc1
InChIInChI=1S/C14H21NO3/c1-3-4-9-15-14(17)10-18-13-7-5-12(6-8-13)11(2)16/h5-8,11,16H,3-4,9-10H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyNXFSUKYXIRZRMH-NSHDSACASA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[4-(1-hydroxyethyl)phenoxy]acetamide
CID 54956588
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
N-ethyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63364320
N-butyl-2-(4-propoxyphenoxy)acetamide
CID 112775304
4-[2-(butylamino)-2-oxoethoxy]benzoic acid
CID 22645381
N-butyl-2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494718
2-[4-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 78930659
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679
2-[4-(1-hydroxyethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61489740
methyl 2-[4-[2-(butylamino)-2-oxoethoxy]phenyl]acetate
CID 112786526
2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 63365686
2-[4-(2-aminobutyl)phenoxy]-N-butylacetamide
CID 61485616

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide?
The IUPAC name of N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide (CID 78931016) is N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide.
What is the SMILES notation for N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide?
The canonical SMILES for N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide is CCCCNC(=O)COc1ccc([C@H](C)O)cc1.
What is the InChIKey of N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide?
The InChIKey is NXFSUKYXIRZRMH-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-4-9-15-14(17)10-18-13-7-5-12(6-8-13)11(2)16/h5-8,11,16H,3-4,9-10H2,1-2H3,(H,15,17)/t11-/m0/s1.
What are the key properties of N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide?
N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide has a molecular weight of 251.33 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]acetamide is sourced from PubChem (CID 78931016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).