(4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate

C14H21N3O5 — CID 22363708

IUPAC(4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
SMILESCCCCCCOc1ccnc(OC(=O)NC(=O)CN)c1O
InChIInChI=1S/C14H21N3O5/c1-2-3-4-5-8-21-10-6-7-16-13(12(10)19)22-14(20)17-11(18)9-15/h6-7,19H,2-5,8-9,15H2,1H3,(H,17,18,20)
InChIKeyCNDCSFZHEHJYBQ-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.32
Rot. Bonds8

About (4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate

(4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate (PubChem CID 22363708) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is (4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate.

Molecular Properties

Compound Name(4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
PubChem CID22363708
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Name(4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
SMILESCCCCCCOc1ccnc(OC(=O)NC(=O)CN)c1O
InChIInChI=1S/C14H21N3O5/c1-2-3-4-5-8-21-10-6-7-16-13(12(10)19)22-14(20)17-11(18)9-15/h6-7,19H,2-5,8-9,15H2,1H3,(H,17,18,20)
InChIKeyCNDCSFZHEHJYBQ-UHFFFAOYSA-N
XLogP1.32
TPSA123.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4-butoxy-3-methoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
CID 67690651
2,6-di(nonoxy)phenol
CID 22024876
2,6-diheptoxyphenol
CID 57426104
3-tetradecoxybenzene-1,2-diol
CID 152769078
2-hydroxy-3-triacontoxybenzoic acid
CID 70421879
2-amino-1-(3,4-dioctoxyphenyl)ethanone
CID 170860475
2-amino-1-(2-hexadecoxyphenyl)ethanone
CID 170860308
N-(2-aminoacetyl)-3-hydroxy-4-propan-2-yloxypyridine-2-carboxamide
CID 54225142
2,3-didecoxypyridine
CID 151922374
(4-docosoxyphenyl) N-methylcarbamate
CID 172715138
4-octoxypyridine-3-carboxylic acid
CID 81226157
N-heptyl-3-hydroxy-4-methoxypyridine-2-carboxamide
CID 21088900

Frequently Asked Questions

What is the IUPAC name of (4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The IUPAC name of (4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate (CID 22363708) is (4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate.
What is the SMILES notation for (4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The canonical SMILES for (4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate is CCCCCCOc1ccnc(OC(=O)NC(=O)CN)c1O.
What is the InChIKey of (4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
The InChIKey is CNDCSFZHEHJYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-2-3-4-5-8-21-10-6-7-16-13(12(10)19)22-14(20)17-11(18)9-15/h6-7,19H,2-5,8-9,15H2,1H3,(H,17,18,20).
What are the key properties of (4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate?
(4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate has a molecular weight of 311.34 g/mol, XLogP of 1.32, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate is sourced from PubChem (CID 22363708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).