N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide

C16H25NO4 — CID 62521913

IUPACN-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide
SMILESCCC(CC)(CO)NC(=O)C(C)Oc1ccc(OC)cc1
InChIInChI=1S/C16H25NO4/c1-5-16(6-2,11-18)17-15(19)12(3)21-14-9-7-13(20-4)8-10-14/h7-10,12,18H,5-6,11H2,1-4H3,(H,17,19)
InChIKeyLDVZCEQKUYEECW-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.13
Rot. Bonds8

About N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide

N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide (PubChem CID 62521913) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide
PubChem CID62521913
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide
SMILESCCC(CC)(CO)NC(=O)C(C)Oc1ccc(OC)cc1
InChIInChI=1S/C16H25NO4/c1-5-16(6-2,11-18)17-15(19)12(3)21-14-9-7-13(20-4)8-10-14/h7-10,12,18H,5-6,11H2,1-4H3,(H,17,19)
InChIKeyLDVZCEQKUYEECW-UHFFFAOYSA-N
XLogP2.13
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-tert-butyl-2-(4-methoxyphenoxy)propanamide
CID 925163
N-(4-hydroxy-2-methylbutan-2-yl)-2-(4-methoxyphenoxy)propanamide
CID 115968798
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-methoxypropanamide
CID 103891013
N-(2-hydroxy-2-methylbutyl)-2-(4-methoxyphenoxy)propanamide
CID 65114573
N-[3-(aminomethyl)pentan-3-yl]-2-(4-methylsulfanylphenoxy)propanamide
CID 119569465
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169
2,2-bis(4-chlorophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 3045045
N-[(2R)-1-hydroxybutan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 103920282
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
N-methoxy-2-(4-methoxyphenoxy)propanamide
CID 46565224
ethyl 2-[2-(4-methoxyphenoxy)propanoylamino]acetate
CID 47257620
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide (CID 62521913) is N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide is CCC(CC)(CO)NC(=O)C(C)Oc1ccc(OC)cc1.
What is the InChIKey of N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide?
The InChIKey is LDVZCEQKUYEECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-5-16(6-2,11-18)17-15(19)12(3)21-14-9-7-13(20-4)8-10-14/h7-10,12,18H,5-6,11H2,1-4H3,(H,17,19).
What are the key properties of N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide?
N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide has a molecular weight of 295.38 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 62521913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).