1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea

C14H22N2O2 — CID 95142311

IUPAC1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
SMILESCc1cc([C@@H](C)NC(=O)N(C)CC2CC2)c(C)o1
InChIInChI=1S/C14H22N2O2/c1-9-7-13(11(3)18-9)10(2)15-14(17)16(4)8-12-5-6-12/h7,10,12H,5-6,8H2,1-4H3,(H,15,17)/t10-/m1/s1
InChIKeyNVKGPEOQVLIRET-SNVBAGLBSA-N
MW250.34 g/mol
LogP3.01
Rot. Bonds4

About 1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea

1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea (PubChem CID 95142311) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
PubChem CID95142311
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
SMILESCc1cc([C@@H](C)NC(=O)N(C)CC2CC2)c(C)o1
InChIInChI=1S/C14H22N2O2/c1-9-7-13(11(3)18-9)10(2)15-14(17)16(4)8-12-5-6-12/h7,10,12H,5-6,8H2,1-4H3,(H,15,17)/t10-/m1/s1
InChIKeyNVKGPEOQVLIRET-SNVBAGLBSA-N
XLogP3.01
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea 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-(cyclopropylmethyl)-3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
CID 56820991
1-(1,3-benzodioxol-5-ylmethyl)-3-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea
CID 95206358
3-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 86856534
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203
2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62820644
2-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]acetamide
CID 63680874
1-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-3-[1-(2,5-dimethylfuran-3-yl)ethyl]urea
CID 110911377
2-amino-N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclopropane-1-carboxamide
CID 114995788
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-sulfanylpropanamide
CID 107027131
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102779269
N-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014343
tert-butyl N-[1-(2,5-dimethylfuran-3-yl)ethyl]carbamate
CID 63789405

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea (CID 95142311) is 1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea is Cc1cc([C@@H](C)NC(=O)N(C)CC2CC2)c(C)o1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea?
The InChIKey is NVKGPEOQVLIRET-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9-7-13(11(3)18-9)10(2)15-14(17)16(4)8-12-5-6-12/h7,10,12H,5-6,8H2,1-4H3,(H,15,17)/t10-/m1/s1.
What are the key properties of 1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea?
1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea has a molecular weight of 250.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-1-methylurea is sourced from PubChem (CID 95142311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).