1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea

C19H21N3O3 — CID 97318785

IUPAC1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
SMILESCC[C@H](NC(=O)NCc1cc2cccc(OC)c2o1)c1ccncc1
InChIInChI=1S/C19H21N3O3/c1-3-16(13-7-9-20-10-8-13)22-19(23)21-12-15-11-14-5-4-6-17(24-2)18(14)25-15/h4-11,16H,3,12H2,1-2H3,(H2,21,22,23)/t16-/m0/s1
InChIKeyKMOYVHPIBZSPRE-INIZCTEOSA-N
MW339.40 g/mol
LogP3.79
Rot. Bonds6

About 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea

1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea (PubChem CID 97318785) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea.

Molecular Properties

Compound Name1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
PubChem CID97318785
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
SMILESCC[C@H](NC(=O)NCc1cc2cccc(OC)c2o1)c1ccncc1
InChIInChI=1S/C19H21N3O3/c1-3-16(13-7-9-20-10-8-13)22-19(23)21-12-15-11-14-5-4-6-17(24-2)18(14)25-15/h4-11,16H,3,12H2,1-2H3,(H2,21,22,23)/t16-/m0/s1
InChIKeyKMOYVHPIBZSPRE-INIZCTEOSA-N
XLogP3.79
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea with MolForge

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Related Compounds

1-[(2-methoxyphenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042538
1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea
CID 97215535
(2R)-2-[(7-methoxy-1-benzofuran-2-yl)methylamino]butan-1-ol
CID 113352580
1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97221546
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]acetate
CID 43756848
1-[(6-methoxy-3-pyridinyl)methyl]-3-(1-pyridin-4-ylpropyl)urea
CID 71990716
3-ethyl-N-[(7-methoxy-1-benzofuran-2-yl)methyl]pentan-2-amine
CID 63843448
methyl 2-[(7-methoxy-1-benzofuran-2-yl)methylamino]-3-methylbutanoate
CID 60781620
N-methoxy-1-(7-methoxy-1-benzofuran-2-yl)methanamine
CID 82707164
N-[(7-methoxy-1-benzofuran-2-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 115899996
1-(7-methoxy-1-benzofuran-2-yl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954888
1-[(7-methoxy-1-benzofuran-2-yl)methylamino]pentan-2-ol
CID 115623289

Frequently Asked Questions

What is the IUPAC name of 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea?
The IUPAC name of 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea (CID 97318785) is 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea.
What is the SMILES notation for 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea?
The canonical SMILES for 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea is CC[C@H](NC(=O)NCc1cc2cccc(OC)c2o1)c1ccncc1.
What is the InChIKey of 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea?
The InChIKey is KMOYVHPIBZSPRE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-16(13-7-9-20-10-8-13)22-19(23)21-12-15-11-14-5-4-6-17(24-2)18(14)25-15/h4-11,16H,3,12H2,1-2H3,(H2,21,22,23)/t16-/m0/s1.
What are the key properties of 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea?
1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea has a molecular weight of 339.40 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7-methoxy-1-benzofuran-2-yl)methyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea is sourced from PubChem (CID 97318785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).