1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea

C14H24N4O2 — CID 94183002

IUPAC1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCCN(C[C@H]1CCOC1)C(=O)N[C@@H](C)Cn1ccnc1
InChIInChI=1S/C14H24N4O2/c1-3-18(9-13-4-7-20-10-13)14(19)16-12(2)8-17-6-5-15-11-17/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,16,19)/t12-,13+/m0/s1
InChIKeyUTPCJYIEFYJMGY-QWHCGFSZSA-N
MW280.37 g/mol
LogP1.34
Rot. Bonds6

About 1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea

1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea (PubChem CID 94183002) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea
PubChem CID94183002
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea
SMILESCCN(C[C@H]1CCOC1)C(=O)N[C@@H](C)Cn1ccnc1
InChIInChI=1S/C14H24N4O2/c1-3-18(9-13-4-7-20-10-13)14(19)16-12(2)8-17-6-5-15-11-17/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,16,19)/t12-,13+/m0/s1
InChIKeyUTPCJYIEFYJMGY-QWHCGFSZSA-N
XLogP1.34
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea with MolForge

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Related Compounds

1-(1-imidazol-1-ylpropan-2-yl)-3-(oxolan-3-ylmethyl)urea
CID 47229107
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 94122786
2-[ethyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61480594
N-tert-butyl-2-[ethyl-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoyl]amino]acetamide
CID 95572632
3-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-1-(oxolan-3-ylmethyl)urea
CID 53497872
2-[cyclopentyl(1-imidazol-1-ylpropan-2-ylcarbamoyl)amino]acetic acid
CID 61480558
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61148831
(2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944791
(3R)-N-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 95904931
(3R)-N-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-methylpropyl)morpholine-4-carboxamide
CID 95904933
1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 115583841

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea (CID 94183002) is 1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea is CCN(C[C@H]1CCOC1)C(=O)N[C@@H](C)Cn1ccnc1.
What is the InChIKey of 1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea?
The InChIKey is UTPCJYIEFYJMGY-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-18(9-13-4-7-20-10-13)14(19)16-12(2)8-17-6-5-15-11-17/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,16,19)/t12-,13+/m0/s1.
What are the key properties of 1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea?
1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea has a molecular weight of 280.37 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-[[(3R)-oxolan-3-yl]methyl]urea is sourced from PubChem (CID 94183002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).