1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea

C13H23N3O2 — CID 47216311

IUPAC1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
SMILESCCC(C)NC(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C13H23N3O2/c1-5-10(2)15-13(17)14-9-11(16(3)4)12-7-6-8-18-12/h6-8,10-11H,5,9H2,1-4H3,(H2,14,15,17)
InChIKeyXMFAPWMYWMMNFL-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.98
Rot. Bonds6

About 1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea

1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea (PubChem CID 47216311) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
PubChem CID47216311
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
SMILESCCC(C)NC(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C13H23N3O2/c1-5-10(2)15-13(17)14-9-11(16(3)4)12-7-6-8-18-12/h6-8,10-11H,5,9H2,1-4H3,(H2,14,15,17)
InChIKeyXMFAPWMYWMMNFL-UHFFFAOYSA-N
XLogP1.98
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 94017330
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3-methylphenoxy)propan-2-yl]urea
CID 60569811
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 110892196
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 52985245
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-ethoxypropanamide
CID 94775937
1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 167985721
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-fluorophenyl)urea
CID 17494246
1-(4-cyanophenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 84515229
1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60583718
1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
CID 94154225

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea (CID 47216311) is 1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea is CCC(C)NC(=O)NCC(c1ccco1)N(C)C.
What is the InChIKey of 1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The InChIKey is XMFAPWMYWMMNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-10(2)15-13(17)14-9-11(16(3)4)12-7-6-8-18-12/h6-8,10-11H,5,9H2,1-4H3,(H2,14,15,17).
What are the key properties of 1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea has a molecular weight of 253.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 47216311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).