1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(3-phenylprop-2-ynyl)urea

C19H23N3O2 — CID 71855981

IUPAC1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(3-phenylprop-2-ynyl)urea
SMILESCN(C)CCN(Cc1ccco1)C(=O)NCC#Cc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-21(2)13-14-22(16-18-11-7-15-24-18)19(23)20-12-6-10-17-8-4-3-5-9-17/h3-5,7-9,11,15H,12-14,16H2,1-2H3,(H,20,23)
InChIKeyVNAJLWDNSNHYFR-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.40
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(3-phenylprop-2-ynyl)urea

1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(3-phenylprop-2-ynyl)urea (PubChem CID 71855981) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(3-phenylprop-2-ynyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(3-phenylprop-2-ynyl)urea
PubChem CID71855981
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(3-phenylprop-2-ynyl)urea
SMILESCN(C)CCN(Cc1ccco1)C(=O)NCC#Cc1ccccc1
InChIInChI=1S/C19H23N3O2/c1-21(2)13-14-22(16-18-11-7-15-24-18)19(23)20-12-6-10-17-8-4-3-5-9-17/h3-5,7-9,11,15H,12-14,16H2,1-2H3,(H,20,23)
InChIKeyVNAJLWDNSNHYFR-UHFFFAOYSA-N
XLogP2.40
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[ethyl(furan-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 61420829
5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 71972308
3-[ethyl-[ethyl(furan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61420879
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxy-5-methyl-3-pyridinyl)urea
CID 71856055
N-benzyl-2-[ethylcarbamoyl(propyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4606428
(2R)-2-[[ethyl(furan-2-ylmethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756107
N-(furan-2-ylmethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 42773267
3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid
CID 82324378
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea
CID 86999017
3-amino-1-ethyl-1-(furan-2-ylmethyl)-2-phenylguanidine
CID 116514654
2-[2-(dimethylamino)ethyl-(3-phenylprop-2-ynoyl)amino]acetic acid
CID 107423505

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(3-phenylprop-2-ynyl)urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(3-phenylprop-2-ynyl)urea (CID 71855981) is 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(3-phenylprop-2-ynyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(3-phenylprop-2-ynyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(3-phenylprop-2-ynyl)urea is CN(C)CCN(Cc1ccco1)C(=O)NCC#Cc1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(3-phenylprop-2-ynyl)urea?
The InChIKey is VNAJLWDNSNHYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21(2)13-14-22(16-18-11-7-15-24-18)19(23)20-12-6-10-17-8-4-3-5-9-17/h3-5,7-9,11,15H,12-14,16H2,1-2H3,(H,20,23).
What are the key properties of 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(3-phenylprop-2-ynyl)urea?
1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(3-phenylprop-2-ynyl)urea has a molecular weight of 325.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(3-phenylprop-2-ynyl)urea is sourced from PubChem (CID 71855981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).