1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea

C19H21N3O2 — CID 97048634

IUPAC1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea
SMILESC[C@H](c1ccco1)N(C(=O)NCc1cc2ccccc2[nH]1)C1CC1
InChIInChI=1S/C19H21N3O2/c1-13(18-7-4-10-24-18)22(16-8-9-16)19(23)20-12-15-11-14-5-2-3-6-17(14)21-15/h2-7,10-11,13,16,21H,8-9,12H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyZHDPBWBNPIQKOM-CYBMUJFWSA-N
MW323.40 g/mol
LogP4.20
Rot. Bonds5

About 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea

1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea (PubChem CID 97048634) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea
PubChem CID97048634
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea
SMILESC[C@H](c1ccco1)N(C(=O)NCc1cc2ccccc2[nH]1)C1CC1
InChIInChI=1S/C19H21N3O2/c1-13(18-7-4-10-24-18)22(16-8-9-16)19(23)20-12-15-11-14-5-2-3-6-17(14)21-15/h2-7,10-11,13,16,21H,8-9,12H2,1H3,(H,20,23)/t13-/m1/s1
InChIKeyZHDPBWBNPIQKOM-CYBMUJFWSA-N
XLogP4.20
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea with MolForge

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Related Compounds

1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]urea
CID 97048766
1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
CID 75425430
1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea
CID 75425426
1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea
CID 97222800
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea
CID 71972779
1H-indol-2-ylmethylcarbamic acid
CID 68691362
N-(1H-indol-2-ylmethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 47086396
1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea
CID 97048851
1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(2-pyridin-3-ylethyl)urea
CID 97048571
2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide
CID 86286685
1-cyclohexyl-1-[1-(furan-2-yl)ethyl]-3-phenylurea
CID 4064420

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea?
The IUPAC name of 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea (CID 97048634) is 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea.
What is the SMILES notation for 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea?
The canonical SMILES for 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea is C[C@H](c1ccco1)N(C(=O)NCc1cc2ccccc2[nH]1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea?
The InChIKey is ZHDPBWBNPIQKOM-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(18-7-4-10-24-18)22(16-8-9-16)19(23)20-12-15-11-14-5-2-3-6-17(14)21-15/h2-7,10-11,13,16,21H,8-9,12H2,1H3,(H,20,23)/t13-/m1/s1.
What are the key properties of 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea?
1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea has a molecular weight of 323.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea is sourced from PubChem (CID 97048634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).