1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea

C14H18N2O — CID 97081607

IUPAC1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea
SMILESO=C(NC[C@@H]1C[C@@H]1c1ccccc1)NC1CC1
InChIInChI=1S/C14H18N2O/c17-14(16-12-6-7-12)15-9-11-8-13(11)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H2,15,16,17)/t11-,13+/m0/s1
InChIKeySIXZOAQDUXMOHH-WCQYABFASA-N
MW230.31 g/mol
LogP2.25
Rot. Bonds4

About 1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea

1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea (PubChem CID 97081607) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea
PubChem CID97081607
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea
SMILESO=C(NC[C@@H]1C[C@@H]1c1ccccc1)NC1CC1
InChIInChI=1S/C14H18N2O/c17-14(16-12-6-7-12)15-9-11-8-13(11)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H2,15,16,17)/t11-,13+/m0/s1
InChIKeySIXZOAQDUXMOHH-WCQYABFASA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea with MolForge

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Related Compounds

(3S)-N-ethyl-3-[[(1R,2S)-2-phenylcyclopropyl]methylcarbamoylamino]pyrrolidine-1-carboxamide
CID 97028910
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(2-phenylcyclopropyl)methyl]urea
CID 111506232
4-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoylamino]butanoic acid
CID 122015490
1-(4-chlorophenyl)-3-[(2-phenylcyclopropyl)methyl]urea
CID 155436496
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea
CID 97081608
4-[[(2R,5S)-5-phenyloxolan-2-yl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122014785
1-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122015491
1-(2-hydroxyethyl)-3-(4-phenylcyclohexyl)urea
CID 110894206
cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319586
1-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-3-[[(1S,2S)-2-phenylcyclopropyl]methyl]urea
CID 97081613

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea (CID 97081607) is 1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea is O=C(NC[C@@H]1C[C@@H]1c1ccccc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea?
The InChIKey is SIXZOAQDUXMOHH-WCQYABFASA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(16-12-6-7-12)15-9-11-8-13(11)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H2,15,16,17)/t11-,13+/m0/s1.
What are the key properties of 1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea?
1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea has a molecular weight of 230.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[(1R,2S)-2-phenylcyclopropyl]methyl]urea is sourced from PubChem (CID 97081607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).