(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide

C13H19NO3 — CID 30392232

IUPAC(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)Oc1cccc(OC)c1
InChIInChI=1S/C13H19NO3/c1-4-8-14-13(15)10(2)17-12-7-5-6-11(9-12)16-3/h5-7,9-10H,4,8H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyPWDPONGUDNACRS-JTQLQIEISA-N
MW237.30 g/mol
LogP1.99
Rot. Bonds6

About (2S)-2-(3-methoxyphenoxy)-N-propylpropanamide

(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide (PubChem CID 30392232) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2S)-2-(3-methoxyphenoxy)-N-propylpropanamide.

Molecular Properties

Compound Name(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
PubChem CID30392232
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
SMILESCCCNC(=O)[C@H](C)Oc1cccc(OC)c1
InChIInChI=1S/C13H19NO3/c1-4-8-14-13(15)10(2)17-12-7-5-6-11(9-12)16-3/h5-7,9-10H,4,8H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyPWDPONGUDNACRS-JTQLQIEISA-N
XLogP1.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-hexyl-2-(3-methoxyphenoxy)propanamide
CID 19203844
2-(3-hydroxyphenoxy)-N-propylpropanamide
CID 43143504
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 99953946
(2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide
CID 28635088
(2S)-2-(3-methoxyphenoxy)-N-(2-phenylsulfanylethyl)propanamide
CID 28577516
(2S)-2-(3-nitrophenoxy)-N-propylpropanamide
CID 8956680
2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid
CID 53264145
(2R)-N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 92675443
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide
CID 133239855

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-propylpropanamide?
The IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-propylpropanamide (CID 30392232) is (2S)-2-(3-methoxyphenoxy)-N-propylpropanamide.
What is the SMILES notation for (2S)-2-(3-methoxyphenoxy)-N-propylpropanamide?
The canonical SMILES for (2S)-2-(3-methoxyphenoxy)-N-propylpropanamide is CCCNC(=O)[C@H](C)Oc1cccc(OC)c1.
What is the InChIKey of (2S)-2-(3-methoxyphenoxy)-N-propylpropanamide?
The InChIKey is PWDPONGUDNACRS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-8-14-13(15)10(2)17-12-7-5-6-11(9-12)16-3/h5-7,9-10H,4,8H2,1-3H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-2-(3-methoxyphenoxy)-N-propylpropanamide?
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxyphenoxy)-N-propylpropanamide is sourced from PubChem (CID 30392232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).