(2S)-2-amino-N-[3-(2-ethylhexoxymethyl)phenyl]propanamide;hydrochloride

C18H31ClN2O2 — CID 119306401

IUPAC(2S)-2-amino-N-[3-(2-ethylhexoxymethyl)phenyl]propanamide;hydrochloride
SMILESCCCCC(CC)COCc1cccc(NC(=O)[C@H](C)N)c1.Cl
InChIInChI=1S/C18H30N2O2.ClH/c1-4-6-8-15(5-2)12-22-13-16-9-7-10-17(11-16)20-18(21)14(3)19;/h7,9-11,14-15H,4-6,8,12-13,19H2,1-3H3,(H,20,21);1H/t14-,15?;/m0./s1
InChIKeySFDNXQNQXLFZNP-QDVCFFRGSA-N
MW342.91 g/mol
LogP4.13
Rot. Bonds10

About (2S)-2-amino-N-[3-(2-ethylhexoxymethyl)phenyl]propanamide;hydrochloride

(2S)-2-amino-N-[3-(2-ethylhexoxymethyl)phenyl]propanamide;hydrochloride (PubChem CID 119306401) has the molecular formula C18H31ClN2O2 and a molecular weight of 342.91 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(2-ethylhexoxymethyl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(2-ethylhexoxymethyl)phenyl]propanamide;hydrochloride
PubChem CID119306401
Molecular FormulaC18H31ClN2O2
Molecular Weight342.91 g/mol
Exact Mass342.21
IUPAC Name(2S)-2-amino-N-[3-(2-ethylhexoxymethyl)phenyl]propanamide;hydrochloride
SMILESCCCCC(CC)COCc1cccc(NC(=O)[C@H](C)N)c1.Cl
InChIInChI=1S/C18H30N2O2.ClH/c1-4-6-8-15(5-2)12-22-13-16-9-7-10-17(11-16)20-18(21)14(3)19;/h7,9-11,14-15H,4-6,8,12-13,19H2,1-3H3,(H,20,21);1H/t14-,15?;/m0./s1
InChIKeySFDNXQNQXLFZNP-QDVCFFRGSA-N
XLogP4.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-(2-butoxyethoxymethyl)phenyl]propanamide;hydrochloride
CID 119306540
N-[3-(2-ethylhexoxymethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119754136
(2R)-2-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306295
N-[[3-(2-ethylhexoxymethyl)phenyl]methyl]ethanamine
CID 63490215
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
methyl 2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetate;hydrochloride
CID 119322800
(2S)-2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]propanamide;hydrochloride
CID 119333857
2-amino-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]pentanamide
CID 119753959
2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride
CID 119306590
N-[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylbutanamide;hydrochloride
CID 119285748
2-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]acetic acid
CID 65350383
2-ethyl-N-(3-ethylphenyl)hexanamide
CID 2930843

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(2-ethylhexoxymethyl)phenyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[3-(2-ethylhexoxymethyl)phenyl]propanamide;hydrochloride (CID 119306401) is (2S)-2-amino-N-[3-(2-ethylhexoxymethyl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[3-(2-ethylhexoxymethyl)phenyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[3-(2-ethylhexoxymethyl)phenyl]propanamide;hydrochloride is CCCCC(CC)COCc1cccc(NC(=O)[C@H](C)N)c1.Cl.
What is the InChIKey of (2S)-2-amino-N-[3-(2-ethylhexoxymethyl)phenyl]propanamide;hydrochloride?
The InChIKey is SFDNXQNQXLFZNP-QDVCFFRGSA-N. The full InChI is InChI=1S/C18H30N2O2.ClH/c1-4-6-8-15(5-2)12-22-13-16-9-7-10-17(11-16)20-18(21)14(3)19;/h7,9-11,14-15H,4-6,8,12-13,19H2,1-3H3,(H,20,21);1H/t14-,15?;/m0./s1.
What are the key properties of (2S)-2-amino-N-[3-(2-ethylhexoxymethyl)phenyl]propanamide;hydrochloride?
(2S)-2-amino-N-[3-(2-ethylhexoxymethyl)phenyl]propanamide;hydrochloride has a molecular weight of 342.91 g/mol, XLogP of 4.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(2-ethylhexoxymethyl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 119306401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).