2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid

C14H21NO5 — CID 69147976

IUPAC2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid
SMILESCOc1ccc(CCN(CCCO)C(=O)O)cc1OC
InChIInChI=1S/C14H21NO5/c1-19-12-5-4-11(10-13(12)20-2)6-8-15(14(17)18)7-3-9-16/h4-5,10,16H,3,6-9H2,1-2H3,(H,17,18)
InChIKeyYUZASPOIHLWUNB-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.61
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid

2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid (PubChem CID 69147976) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid
PubChem CID69147976
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid
SMILESCOc1ccc(CCN(CCCO)C(=O)O)cc1OC
InChIInChI=1S/C14H21NO5/c1-19-12-5-4-11(10-13(12)20-2)6-8-15(14(17)18)7-3-9-16/h4-5,10,16H,3,6-9H2,1-2H3,(H,17,18)
InChIKeyYUZASPOIHLWUNB-UHFFFAOYSA-N
XLogP1.61
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylpropanamide
CID 22954106
N-[3-(3,4-dimethoxyphenyl)propyl]-N-(trimethylsilylmethyl)benzamide
CID 10620133
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
3-(7,8-diamino-4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)propyl-[2-(3,4-dimethoxyphenyl)ethyl]carbamic acid
CID 69146381
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide
CID 113165331
2-amino-N-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrate
CID 142758338
5-(3,4-dimethoxyphenyl)-N,N-bis[5-(3,4-dimethoxyphenyl)pentyl]pentan-1-amine
CID 57389908
2-amino-5-(3,4-dimethoxyphenyl)pentanoic acid
CID 115005508
4-(3,4-dimethoxyphenyl)-N'-methylbutanehydrazide
CID 116846469
N-(3-aminopropyl)-N-[3-[3-[3-aminopropyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]propylamino]propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 145301444
N-[3-[2-[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]ethylamino]propyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 67415679
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid?
The IUPAC name of 2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid (CID 69147976) is 2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid is COc1ccc(CCN(CCCO)C(=O)O)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid?
The InChIKey is YUZASPOIHLWUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-19-12-5-4-11(10-13(12)20-2)6-8-15(14(17)18)7-3-9-16/h4-5,10,16H,3,6-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid?
2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid has a molecular weight of 283.32 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid is sourced from PubChem (CID 69147976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).