1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea

C11H21N3O2 — CID 68735262

IUPAC1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)NCC1CCC=CO1
InChIInChI=1S/C11H21N3O2/c1-14(2)7-6-12-11(15)13-9-10-5-3-4-8-16-10/h4,8,10H,3,5-7,9H2,1-2H3,(H2,12,13,15)
InChIKeyLIUVAEYWIQNPGF-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.54
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea

1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea (PubChem CID 68735262) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea
PubChem CID68735262
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea
SMILESCN(C)CCNC(=O)NCC1CCC=CO1
InChIInChI=1S/C11H21N3O2/c1-14(2)7-6-12-11(15)13-9-10-5-3-4-8-16-10/h4,8,10H,3,5-7,9H2,1-2H3,(H2,12,13,15)
InChIKeyLIUVAEYWIQNPGF-UHFFFAOYSA-N
XLogP0.54
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(R)-1-(3,4-Dihydro-2H-pyran-2-yl)methyl]-3-(2-dimethylamino-ethyl)urea
CID 46185757
1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea;ethane
CID 143819458
N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide
CID 62064884
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylacetamide
CID 62065786
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-ethylacetamide
CID 62066905
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-propylacetamide
CID 62066906
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 62843438
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethylurea
CID 83109324
3-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-1,1-dimethylurea
CID 83116673
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 104376154
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylacetamide
CID 104383090
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]-N-methylcarbamate
CID 107094743

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea (CID 68735262) is 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea is CN(C)CCNC(=O)NCC1CCC=CO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea?
The InChIKey is LIUVAEYWIQNPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-14(2)7-6-12-11(15)13-9-10-5-3-4-8-16-10/h4,8,10H,3,5-7,9H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea?
1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea has a molecular weight of 227.31 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea is sourced from PubChem (CID 68735262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).