1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea

C18H23N3O2 — CID 97222800

IUPAC1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea
SMILESC[C@@H](CNC(=O)N(C1CC1)[C@@H](C)c1ccco1)c1ccncc1
InChIInChI=1S/C18H23N3O2/c1-13(15-7-9-19-10-8-15)12-20-18(22)21(16-5-6-16)14(2)17-4-3-11-23-17/h3-4,7-11,13-14,16H,5-6,12H2,1-2H3,(H,20,22)/t13-,14-/m0/s1
InChIKeyGOQOESCFHYILMN-KBPBESRZSA-N
MW313.40 g/mol
LogP3.71
Rot. Bonds6

About 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea

1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea (PubChem CID 97222800) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea
PubChem CID97222800
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea
SMILESC[C@@H](CNC(=O)N(C1CC1)[C@@H](C)c1ccco1)c1ccncc1
InChIInChI=1S/C18H23N3O2/c1-13(15-7-9-19-10-8-15)12-20-18(22)21(16-5-6-16)14(2)17-4-3-11-23-17/h3-4,7-11,13-14,16H,5-6,12H2,1-2H3,(H,20,22)/t13-,14-/m0/s1
InChIKeyGOQOESCFHYILMN-KBPBESRZSA-N
XLogP3.71
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea with MolForge

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Related Compounds

1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-(2-pyridin-3-ylethyl)urea
CID 97048571
1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea
CID 75425426
1-cyclopropyl-3-[(1-cyclopropyltetrazol-5-yl)methyl]-1-[1-(furan-2-yl)ethyl]urea
CID 75425430
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-1-[(1R)-1-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)urea
CID 97048634
2-cyclopentyl-N-cyclopropyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 60576605
1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]-3-[(3R)-hex-5-yn-3-yl]urea
CID 97048807
1-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(furan-2-yl)ethyl]urea
CID 71972779
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
3-[(1R)-cyclohex-3-en-1-yl]-1-cyclopropyl-1-[(1R)-1-(furan-2-yl)ethyl]urea
CID 97048743
1-cyclohexyl-1-[1-(furan-2-yl)ethyl]-3-phenylurea
CID 4064420
N-cyclopropyl-N-[1-(furan-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 75417029

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea?
The IUPAC name of 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea (CID 97222800) is 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea is C[C@@H](CNC(=O)N(C1CC1)[C@@H](C)c1ccco1)c1ccncc1.
What is the InChIKey of 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea?
The InChIKey is GOQOESCFHYILMN-KBPBESRZSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(15-7-9-19-10-8-15)12-20-18(22)21(16-5-6-16)14(2)17-4-3-11-23-17/h3-4,7-11,13-14,16H,5-6,12H2,1-2H3,(H,20,22)/t13-,14-/m0/s1.
What are the key properties of 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea?
1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea has a molecular weight of 313.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(1S)-1-(furan-2-yl)ethyl]-3-[(2R)-2-pyridin-4-ylpropyl]urea is sourced from PubChem (CID 97222800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).