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

C13H27N3O2 — CID 143819458

IUPAC1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea;ethane
SMILESCC.CN(C)CCNC(=O)NCC1CCC=CO1
InChIInChI=1S/C11H21N3O2.C2H6/c1-14(2)7-6-12-11(15)13-9-10-5-3-4-8-16-10;1-2/h4,8,10H,3,5-7,9H2,1-2H3,(H2,12,13,15);1-2H3
InChIKeyPKZTXSOCLBSGRW-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.57
Rot. Bonds5

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

1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea;ethane (PubChem CID 143819458) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea;ethane.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea;ethane
PubChem CID143819458
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea;ethane
SMILESCC.CN(C)CCNC(=O)NCC1CCC=CO1
InChIInChI=1S/C11H21N3O2.C2H6/c1-14(2)7-6-12-11(15)13-9-10-5-3-4-8-16-10;1-2/h4,8,10H,3,5-7,9H2,1-2H3,(H2,12,13,15);1-2H3
InChIKeyPKZTXSOCLBSGRW-UHFFFAOYSA-N
XLogP1.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.57
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
CID 68735262
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;ethane?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea;ethane (CID 143819458) is 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea;ethane.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea;ethane?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea;ethane is CC.CN(C)CCNC(=O)NCC1CCC=CO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea;ethane?
The InChIKey is PKZTXSOCLBSGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.C2H6/c1-14(2)7-6-12-11(15)13-9-10-5-3-4-8-16-10;1-2/h4,8,10H,3,5-7,9H2,1-2H3,(H2,12,13,15);1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea;ethane?
1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-[2-(dimethylamino)ethyl]urea;ethane has a molecular weight of 257.38 g/mol, XLogP of 1.57, 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;ethane is sourced from PubChem (CID 143819458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).