1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea

C18H25N3O4 — CID 60549291

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
SMILESCOc1cc(CNC(=O)NCC(c2ccco2)N(C)C)cc(OC)c1
InChIInChI=1S/C18H25N3O4/c1-21(2)16(17-6-5-7-25-17)12-20-18(22)19-11-13-8-14(23-3)10-15(9-13)24-4/h5-10,16H,11-12H2,1-4H3,(H2,19,20,22)
InChIKeyJPARHRCVFIIGFA-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.40
Rot. Bonds8

About 1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea

1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea (PubChem CID 60549291) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
PubChem CID60549291
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
SMILESCOc1cc(CNC(=O)NCC(c2ccco2)N(C)C)cc(OC)c1
InChIInChI=1S/C18H25N3O4/c1-21(2)16(17-6-5-7-25-17)12-20-18(22)19-11-13-8-14(23-3)10-15(9-13)24-4/h5-10,16H,11-12H2,1-4H3,(H2,19,20,22)
InChIKeyJPARHRCVFIIGFA-UHFFFAOYSA-N
XLogP2.40
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(furan-2-ylmethyl)urea
CID 134056891
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 110892196
2-(3,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]acetamide
CID 41453426
1-[4-(dimethylamino)but-2-ynyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 167985721
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-phenylurea
CID 18588934
N'-(2,4-dimethoxyphenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]oxamide
CID 41454099
1-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[3-(4-methylphenoxy)propyl]urea
CID 95695143
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9152019
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111376145
3-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 60543252
1-butan-2-yl-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 47216311

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea (CID 60549291) is 1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea is COc1cc(CNC(=O)NCC(c2ccco2)N(C)C)cc(OC)c1.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
The InChIKey is JPARHRCVFIIGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-21(2)16(17-6-5-7-25-17)12-20-18(22)19-11-13-8-14(23-3)10-15(9-13)24-4/h5-10,16H,11-12H2,1-4H3,(H2,19,20,22).
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea?
1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea has a molecular weight of 347.42 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 60549291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).