1-[2,6-di(propan-2-yl)phenyl]-3-[2-(furan-2-ylmethylamino)-2-phenylethyl]urea

C26H33N3O2 — CID 10454779

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-[2-(furan-2-ylmethylamino)-2-phenylethyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC(NCc1ccco1)c1ccccc1
InChIInChI=1S/C26H33N3O2/c1-18(2)22-13-8-14-23(19(3)4)25(22)29-26(30)28-17-24(20-10-6-5-7-11-20)27-16-21-12-9-15-31-21/h5-15,18-19,24,27H,16-17H2,1-4H3,(H2,28,29,30)
InChIKeyIRJXFWXQMUTBKI-UHFFFAOYSA-N
MW419.57 g/mol
LogP6.18
Rot. Bonds9

About 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(furan-2-ylmethylamino)-2-phenylethyl]urea

1-[2,6-di(propan-2-yl)phenyl]-3-[2-(furan-2-ylmethylamino)-2-phenylethyl]urea (PubChem CID 10454779) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(furan-2-ylmethylamino)-2-phenylethyl]urea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-[2-(furan-2-ylmethylamino)-2-phenylethyl]urea
PubChem CID10454779
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-[2-(furan-2-ylmethylamino)-2-phenylethyl]urea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NCC(NCc1ccco1)c1ccccc1
InChIInChI=1S/C26H33N3O2/c1-18(2)22-13-8-14-23(19(3)4)25(22)29-26(30)28-17-24(20-10-6-5-7-11-20)27-16-21-12-9-15-31-21/h5-15,18-19,24,27H,16-17H2,1-4H3,(H2,28,29,30)
InChIKeyIRJXFWXQMUTBKI-UHFFFAOYSA-N
XLogP6.18
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 56.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 2928530
1-(2,4-Dimethylphenyl)-3-(furan-2-ylmethyl)thiourea
CID 2826692
N'-(2-ethyl-6-methylphenyl)-N-[1-(2-furyl)ethyl]-N-(2-methoxyethyl)thiourea
CID 3681425
N-(2-furylmethyl)-N-(4-methylbenzyl)-N'-(2-methylphenyl)thiourea
CID 4153840
N-[2-(dimethylamino)ethyl]-N'-(2-ethylphenyl)-N-[1-(2-furyl)ethyl]thiourea
CID 5077637
N-cyclopropyl-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]benzamide
CID 9204530
1-(2-furoyl)-N-(4-isopropylphenyl)-3-piperidinamine
CID 24817658
Oxamide, N-furfuryl-N'-(2,4-dimethylphenyl)-
CID 565940
2-[(cyclohexylcarbamoyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 665349
1-Benzyl-3-cyclohexyl-1-(furan-2-ylmethyl)urea
CID 719993
2-[[anilino(oxo)methyl]amino]-N-(2-furanylmethyl)benzamide
CID 893563
2-benzamido-N-(furan-2-ylmethyl)benzamide
CID 1848423

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(furan-2-ylmethylamino)-2-phenylethyl]urea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(furan-2-ylmethylamino)-2-phenylethyl]urea (CID 10454779) is 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(furan-2-ylmethylamino)-2-phenylethyl]urea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(furan-2-ylmethylamino)-2-phenylethyl]urea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(furan-2-ylmethylamino)-2-phenylethyl]urea is CC(C)c1cccc(C(C)C)c1NC(=O)NCC(NCc1ccco1)c1ccccc1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(furan-2-ylmethylamino)-2-phenylethyl]urea?
The InChIKey is IRJXFWXQMUTBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-18(2)22-13-8-14-23(19(3)4)25(22)29-26(30)28-17-24(20-10-6-5-7-11-20)27-16-21-12-9-15-31-21/h5-15,18-19,24,27H,16-17H2,1-4H3,(H2,28,29,30).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(furan-2-ylmethylamino)-2-phenylethyl]urea?
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(furan-2-ylmethylamino)-2-phenylethyl]urea has a molecular weight of 419.57 g/mol, XLogP of 6.18, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-[2-(furan-2-ylmethylamino)-2-phenylethyl]urea is sourced from PubChem (CID 10454779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).