1-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea

C18H29N3O3 — CID 97227643

IUPAC1-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea
SMILESCCC(=O)N1CC[C@@H](NC(=O)N[C@@H](c2ccc(C)o2)C(C)(C)C)C1
InChIInChI=1S/C18H29N3O3/c1-6-15(22)21-10-9-13(11-21)19-17(23)20-16(18(3,4)5)14-8-7-12(2)24-14/h7-8,13,16H,6,9-11H2,1-5H3,(H2,19,20,23)/t13-,16+/m1/s1
InChIKeyIDGMPAVPVHLWMK-CJNGLKHVSA-N
MW335.45 g/mol
LogP2.99
Rot. Bonds4

About 1-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea

1-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea (PubChem CID 97227643) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea
PubChem CID97227643
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea
SMILESCCC(=O)N1CC[C@@H](NC(=O)N[C@@H](c2ccc(C)o2)C(C)(C)C)C1
InChIInChI=1S/C18H29N3O3/c1-6-15(22)21-10-9-13(11-21)19-17(23)20-16(18(3,4)5)14-8-7-12(2)24-14/h7-8,13,16H,6,9-11H2,1-5H3,(H2,19,20,23)/t13-,16+/m1/s1
InChIKeyIDGMPAVPVHLWMK-CJNGLKHVSA-N
XLogP2.99
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea with MolForge

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Related Compounds

1-[(1S)-1-(3-fluorophenyl)-2,2-dimethylpropyl]-3-[(3S)-1-propanoylpyrrolidin-3-yl]urea
CID 97227724
4-[[(1-propanoylpyrrolidin-3-yl)carbamoylamino]methyl]benzoic acid
CID 122006815
5-phenyl-4-[(1-propanoylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 122006817
N-[1-[2-[1-(5-methylfuran-2-yl)ethylamino]acetyl]piperidin-3-yl]acetamide
CID 86789543
1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97227402
1-(1-propanoylpyrrolidin-3-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea
CID 86769618
1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[[(1'R,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 100592197
(3S)-N-[(1R)-1-(5-ethylfuran-2-yl)-2,2-dimethylpropyl]-3-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxamide
CID 98891805
N-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide
CID 154848050
1-[4-[1-(5-methylfuran-2-yl)ethylamino]piperidin-1-yl]ethanone
CID 43224710
1-[3-(furan-2-ylmethylamino)pyrrolidin-1-yl]propan-1-one
CID 115699429
1-[4-[[2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 84588857

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea?
The IUPAC name of 1-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea (CID 97227643) is 1-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea.
What is the SMILES notation for 1-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea?
The canonical SMILES for 1-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea is CCC(=O)N1CC[C@@H](NC(=O)N[C@@H](c2ccc(C)o2)C(C)(C)C)C1.
What is the InChIKey of 1-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea?
The InChIKey is IDGMPAVPVHLWMK-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-6-15(22)21-10-9-13(11-21)19-17(23)20-16(18(3,4)5)14-8-7-12(2)24-14/h7-8,13,16H,6,9-11H2,1-5H3,(H2,19,20,23)/t13-,16+/m1/s1.
What are the key properties of 1-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea?
1-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea has a molecular weight of 335.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]-3-[(3R)-1-propanoylpyrrolidin-3-yl]urea is sourced from PubChem (CID 97227643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).