2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide

C16H26N2O3 — CID 114350754

IUPAC2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide
SMILESCCCCOCCCNC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C16H26N2O3/c1-2-3-10-21-11-4-9-18-16(20)15(17)12-13-5-7-14(19)8-6-13/h5-8,15,19H,2-4,9-12,17H2,1H3,(H,18,20)
InChIKeyRNLQTYLBDOTTPJ-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.59
Rot. Bonds10

About 2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide

2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 114350754) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID114350754
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide
SMILESCCCCOCCCNC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C16H26N2O3/c1-2-3-10-21-11-4-9-18-16(20)15(17)12-13-5-7-14(19)8-6-13/h5-8,15,19H,2-4,9-12,17H2,1H3,(H,18,20)
InChIKeyRNLQTYLBDOTTPJ-UHFFFAOYSA-N
XLogP1.59
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.59
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

(2R)-2-amino-N-(3-ethoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904634
(2R)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-(4-hydroxyphenyl)propanamide
CID 104904734
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 104904975
(2S)-2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106236638
(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
CID 104904980
2-amino-N-pentyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 22951626
methyl 4-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]butanoate
CID 104904977
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
(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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide (CID 114350754) is 2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide is CCCCOCCCNC(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is RNLQTYLBDOTTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-3-10-21-11-4-9-18-16(20)15(17)12-13-5-7-14(19)8-6-13/h5-8,15,19H,2-4,9-12,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide?
2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 294.39 g/mol, XLogP of 1.59, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 114350754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).