2-[2-hydroxyethyl(prop-2-enyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

C19H28N2O2 — CID 111423315

IUPAC2-[2-hydroxyethyl(prop-2-enyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESC=CCN(CCO)CC(=O)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H28N2O2/c1-3-10-21(11-12-22)14-19(23)20-15(2)17-9-8-16-6-4-5-7-18(16)13-17/h3,8-9,13,15,22H,1,4-7,10-12,14H2,2H3,(H,20,23)
InChIKeyUUUXLOOAVHHORZ-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.22
Rot. Bonds8

About 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

2-[2-hydroxyethyl(prop-2-enyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (PubChem CID 111423315) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(prop-2-enyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
PubChem CID111423315
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name2-[2-hydroxyethyl(prop-2-enyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESC=CCN(CCO)CC(=O)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H28N2O2/c1-3-10-21(11-12-22)14-19(23)20-15(2)17-9-8-16-6-4-5-7-18(16)13-17/h3,8-9,13,15,22H,1,4-7,10-12,14H2,2H3,(H,20,23)
InChIKeyUUUXLOOAVHHORZ-UHFFFAOYSA-N
XLogP2.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]prop-2-enamide
CID 129365471
N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 8956251
2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 110881147
1-(3-hydroxypropyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 110892252
2-(4-methylphenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 127120578
2-[methyl-[2-oxo-2-[[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 9043889
3-(ethylamino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62832355
3-(ethylamino)-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62851480
3-chloro-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62727577
N'-benzyl-N'-(2-hydroxyethyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511215
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125063285
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 9396258

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The IUPAC name of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (CID 111423315) is 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is C=CCN(CCO)CC(=O)NC(C)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The InChIKey is UUUXLOOAVHHORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-10-21(11-12-22)14-19(23)20-15(2)17-9-8-16-6-4-5-7-18(16)13-17/h3,8-9,13,15,22H,1,4-7,10-12,14H2,2H3,(H,20,23).
What are the key properties of 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide has a molecular weight of 316.45 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(prop-2-enyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 111423315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).