1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea

C15H24N4O2 — CID 167985721

IUPAC1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
SMILESCN(C)CC#CCNC(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C15H24N4O2/c1-18(2)10-6-5-9-16-15(20)17-12-13(19(3)4)14-8-7-11-21-14/h7-8,11,13H,9-10,12H2,1-4H3,(H2,16,17,20)
InChIKeyQHOPEQNMNNIIKC-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.75
Rot. Bonds6

About 1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea

1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea (PubChem CID 167985721) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
PubChem CID167985721
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
SMILESCN(C)CC#CCNC(=O)NCC(c1ccco1)N(C)C
InChIInChI=1S/C15H24N4O2/c1-18(2)10-6-5-9-16-15(20)17-12-13(19(3)4)14-8-7-11-21-14/h7-8,11,13H,9-10,12H2,1-4H3,(H2,16,17,20)
InChIKeyQHOPEQNMNNIIKC-UHFFFAOYSA-N
XLogP0.75
TPSA60.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 110892196
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 47216311
tert-butyl N-[2-[[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]ethyl]carbamate
CID 95699804
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
2-cyclopropyl-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]propanamide
CID 110621193
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-methylsulfinylphenyl)urea
CID 71865561
1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60549291
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea (CID 167985721) is 1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea is CN(C)CC#CCNC(=O)NCC(c1ccco1)N(C)C.
What is the InChIKey of 1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The InChIKey is QHOPEQNMNNIIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-18(2)10-6-5-9-16-15(20)17-12-13(19(3)4)14-8-7-11-21-14/h7-8,11,13H,9-10,12H2,1-4H3,(H2,16,17,20).
What are the key properties of 1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea has a molecular weight of 292.38 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 167985721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).