1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea

C19H27N3O3 — CID 94182837

IUPAC1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea
SMILESC[C@@H]1C[C@H]1c1ccc(CN(C(=O)N[C@@H]2CCCCNC2=O)C2CC2)o1
InChIInChI=1S/C19H27N3O3/c1-12-10-15(12)17-8-7-14(25-17)11-22(13-5-6-13)19(24)21-16-4-2-3-9-20-18(16)23/h7-8,12-13,15-16H,2-6,9-11H2,1H3,(H,20,23)(H,21,24)/t12-,15-,16-/m1/s1
InChIKeySPMBJPCEFIBCJA-DAXOMENPSA-N
MW345.44 g/mol
LogP2.75
Rot. Bonds5

About 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea

1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea (PubChem CID 94182837) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea
PubChem CID94182837
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea
SMILESC[C@@H]1C[C@H]1c1ccc(CN(C(=O)N[C@@H]2CCCCNC2=O)C2CC2)o1
InChIInChI=1S/C19H27N3O3/c1-12-10-15(12)17-8-7-14(25-17)11-22(13-5-6-13)19(24)21-16-4-2-3-9-20-18(16)23/h7-8,12-13,15-16H,2-6,9-11H2,1H3,(H,20,23)(H,21,24)/t12-,15-,16-/m1/s1
InChIKeySPMBJPCEFIBCJA-DAXOMENPSA-N
XLogP2.75
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-methyl-1-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]urea
CID 94160880
1-cyclopropyl-1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-(oxan-4-yl)urea
CID 71938740
(2S)-N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,1-dioxothiane-2-carboxamide
CID 97352107
N-cyclopropyl-6-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 99577588
N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94450217
N-cyclopropyl-N-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 97091728
1-cyclopentyl-1-[(2,3-dimethoxyphenyl)methyl]-3-[(3R)-2-oxopiperidin-3-yl]urea
CID 125447458
1-cyclopropyl-1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 94181903
1-benzyl-1-methyl-3-(2-oxoazepan-3-yl)urea
CID 47248762
1-(1,3-benzodioxol-5-ylmethyl)-1-methyl-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94030634
N-cyclopropyl-5-methyl-N-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 94578733
1-ethyl-1-(furan-2-ylmethyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94058653

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea?
The IUPAC name of 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea (CID 94182837) is 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea?
The canonical SMILES for 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea is C[C@@H]1C[C@H]1c1ccc(CN(C(=O)N[C@@H]2CCCCNC2=O)C2CC2)o1.
What is the InChIKey of 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea?
The InChIKey is SPMBJPCEFIBCJA-DAXOMENPSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-12-10-15(12)17-8-7-14(25-17)11-22(13-5-6-13)19(24)21-16-4-2-3-9-20-18(16)23/h7-8,12-13,15-16H,2-6,9-11H2,1H3,(H,20,23)(H,21,24)/t12-,15-,16-/m1/s1.
What are the key properties of 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea?
1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea has a molecular weight of 345.44 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-3-[(3R)-2-oxoazepan-3-yl]urea is sourced from PubChem (CID 94182837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).