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

C19H27N3O3 — CID 60569811

IUPAC1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3-methylphenoxy)propan-2-yl]urea
SMILESCc1cccc(OCC(C)NC(=O)NCC(c2ccco2)N(C)C)c1
InChIInChI=1S/C19H27N3O3/c1-14-7-5-8-16(11-14)25-13-15(2)21-19(23)20-12-17(22(3)4)18-9-6-10-24-18/h5-11,15,17H,12-13H2,1-4H3,(H2,20,21,23)
InChIKeyBQMPNOHGHHLFGA-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.96
Rot. Bonds8

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

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3-methylphenoxy)propan-2-yl]urea (PubChem CID 60569811) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3-methylphenoxy)propan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3-methylphenoxy)propan-2-yl]urea
PubChem CID60569811
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3-methylphenoxy)propan-2-yl]urea
SMILESCc1cccc(OCC(C)NC(=O)NCC(c2ccco2)N(C)C)c1
InChIInChI=1S/C19H27N3O3/c1-14-7-5-8-16(11-14)25-13-15(2)21-19(23)20-12-17(22(3)4)18-9-6-10-24-18/h5-11,15,17H,12-13H2,1-4H3,(H2,20,21,23)
InChIKeyBQMPNOHGHHLFGA-UHFFFAOYSA-N
XLogP2.96
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26819049
1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 47216311
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 26819079
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-prop-2-enoxyphenyl)urea
CID 60577408
1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(4-methylphenoxy)propyl]urea
CID 95695143
1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60583718
(2R)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819063
(2S)-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819067
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3,4-dimethylphenoxy)propanamide
CID 26819070
1-[(2R)-1-(3-methylphenoxy)propan-2-yl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 95761083
(2R)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbutanamide
CID 94606457
1-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 110904600

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3-methylphenoxy)propan-2-yl]urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3-methylphenoxy)propan-2-yl]urea (CID 60569811) is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3-methylphenoxy)propan-2-yl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3-methylphenoxy)propan-2-yl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3-methylphenoxy)propan-2-yl]urea is Cc1cccc(OCC(C)NC(=O)NCC(c2ccco2)N(C)C)c1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3-methylphenoxy)propan-2-yl]urea?
The InChIKey is BQMPNOHGHHLFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-7-5-8-16(11-14)25-13-15(2)21-19(23)20-12-17(22(3)4)18-9-6-10-24-18/h5-11,15,17H,12-13H2,1-4H3,(H2,20,21,23).
What are the key properties of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3-methylphenoxy)propan-2-yl]urea?
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3-methylphenoxy)propan-2-yl]urea has a molecular weight of 345.44 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3-methylphenoxy)propan-2-yl]urea is sourced from PubChem (CID 60569811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).