1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea

C11H14N4O — CID 104877168

IUPAC1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea
SMILESC[C@H](CN)NC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C11H14N4O/c1-8(6-12)14-11(16)15-10-4-2-9(7-13)3-5-10/h2-5,8H,6,12H2,1H3,(H2,14,15,16)/t8-/m1/s1
InChIKeyLEJNITYLUPTFDJ-MRVPVSSYSA-N
MW218.26 g/mol
LogP1.03
Rot. Bonds3

About 1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea

1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea (PubChem CID 104877168) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea.

Molecular Properties

Compound Name1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea
PubChem CID104877168
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea
SMILESC[C@H](CN)NC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C11H14N4O/c1-8(6-12)14-11(16)15-10-4-2-9(7-13)3-5-10/h2-5,8H,6,12H2,1H3,(H2,14,15,16)/t8-/m1/s1
InChIKeyLEJNITYLUPTFDJ-MRVPVSSYSA-N
XLogP1.03
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyanophenyl)-3-pent-4-yn-2-ylurea
CID 115662961
1-(4-cyanophenyl)-3-(3-methylbutan-2-yl)urea
CID 47159354
1-(1-aminopropan-2-yl)-3-phenylurea
CID 23364218
1-(4-cyanophenyl)-3-[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]urea
CID 95313273
4-amino-N-(4-cyanophenyl)-3-methylbutanamide
CID 81070999
1-(4-cyanophenyl)-3-(2-methylpropoxy)urea
CID 112703498
N-(4-cyanophenyl)-N'-propan-2-ylpropanediamide
CID 108940955
1-(4-cyanophenyl)-3-hex-5-yn-3-ylurea
CID 115662959
(2R)-2-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005089
1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
CID 63731547
1-(4-cyanophenyl)-3-[2-methyl-3-(methylamino)propyl]urea
CID 113282530
(4-cyanophenyl)methyl (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887027

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea?
The IUPAC name of 1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea (CID 104877168) is 1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea.
What is the SMILES notation for 1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea?
The canonical SMILES for 1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea is C[C@H](CN)NC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea?
The InChIKey is LEJNITYLUPTFDJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(6-12)14-11(16)15-10-4-2-9(7-13)3-5-10/h2-5,8H,6,12H2,1H3,(H2,14,15,16)/t8-/m1/s1.
What are the key properties of 1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea?
1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea has a molecular weight of 218.26 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea is sourced from PubChem (CID 104877168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).