(2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide

C14H22N2O3 — CID 104904634

IUPAC(2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide
SMILESCCOCCCNC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O3/c1-2-19-9-3-8-16-14(18)13(15)10-11-4-6-12(17)7-5-11/h4-7,13,17H,2-3,8-10,15H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyRCSPZXKIKOXYCX-CYBMUJFWSA-N
MW266.34 g/mol
LogP0.80
Rot. Bonds8

About (2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide

(2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 104904634) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID104904634
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide
SMILESCCOCCCNC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O3/c1-2-19-9-3-8-16-14(18)13(15)10-11-4-6-12(17)7-5-11/h4-7,13,17H,2-3,8-10,15H2,1H3,(H,16,18)/t13-/m1/s1
InChIKeyRCSPZXKIKOXYCX-CYBMUJFWSA-N
XLogP0.80
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 114350754
(2R)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-(4-hydroxyphenyl)propanamide
CID 104904734
(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
CID 104904980
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 104904975
methyl 4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanoate
CID 104904977
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(2-ethoxyethyl)propanamide
CID 61155614
(2S)-2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106236638
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(5-methylhexyl)propanamide
CID 104905427
2-amino-3-(4-hydroxyphenyl)-N-(4,4,4-trifluorobutyl)propanamide
CID 114350635
[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino] ethyl carbonate
CID 175392655

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide (CID 104904634) is (2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide is CCOCCCNC(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is RCSPZXKIKOXYCX-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-19-9-3-8-16-14(18)13(15)10-11-4-6-12(17)7-5-11/h4-7,13,17H,2-3,8-10,15H2,1H3,(H,16,18)/t13-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide?
(2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 266.34 g/mol, XLogP of 0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 104904634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).