1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea

C18H24N2O3 — CID 95159972

IUPAC1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea
SMILESCOc1ccc(CC[C@@H](C)NC(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C18H24N2O3/c1-14(6-7-15-8-10-16(22-3)11-9-15)19-18(21)20(2)13-17-5-4-12-23-17/h4-5,8-12,14H,6-7,13H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyRBLGYBVGRPJSOD-CQSZACIVSA-N
MW316.40 g/mol
LogP3.45
Rot. Bonds7

About 1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea

1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea (PubChem CID 95159972) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea
PubChem CID95159972
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea
SMILESCOc1ccc(CC[C@@H](C)NC(=O)N(C)Cc2ccco2)cc1
InChIInChI=1S/C18H24N2O3/c1-14(6-7-15-8-10-16(22-3)11-9-15)19-18(21)20(2)13-17-5-4-12-23-17/h4-5,8-12,14H,6-7,13H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyRBLGYBVGRPJSOD-CQSZACIVSA-N
XLogP3.45
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea with MolForge

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Related Compounds

1-(furan-2-ylmethyl)-1-methyl-3-[1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 60595612
2-[4-(furan-2-yl)butan-2-ylcarbamoyl-methylamino]propanoic acid
CID 55096590
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[4-(4-methoxyphenyl)butan-2-yl]urea
CID 110908541
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304
N-[1-(furan-2-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 43776737
2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084763
N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
1-ethyl-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-[(2R)-3-methylbutan-2-yl]urea
CID 52505199
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)ethanamine;oxalic acid
CID 126477756
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 50969326
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 7705386

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea?
The IUPAC name of 1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea (CID 95159972) is 1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea is COc1ccc(CC[C@@H](C)NC(=O)N(C)Cc2ccco2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea?
The InChIKey is RBLGYBVGRPJSOD-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-14(6-7-15-8-10-16(22-3)11-9-15)19-18(21)20(2)13-17-5-4-12-23-17/h4-5,8-12,14H,6-7,13H2,1-3H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea?
1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea has a molecular weight of 316.40 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-1-methylurea is sourced from PubChem (CID 95159972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).