1-[(2S)-1-(1,3-dioxolan-2-yl)-3-hydroxypropan-2-yl]-3-(2-phenylprop-2-enyl)urea

C16H22N2O4 — CID 164636962

IUPAC1-[(2S)-1-(1,3-dioxolan-2-yl)-3-hydroxypropan-2-yl]-3-(2-phenylprop-2-enyl)urea
SMILESC=C(CNC(=O)N[C@H](CO)CC1OCCO1)c1ccccc1
InChIInChI=1S/C16H22N2O4/c1-12(13-5-3-2-4-6-13)10-17-16(20)18-14(11-19)9-15-21-7-8-22-15/h2-6,14-15,19H,1,7-11H2,(H2,17,18,20)/t14-/m0/s1
InChIKeyCAIZCQZSVJXIDD-AWEZNQCLSA-N
MW306.36 g/mol
LogP1.12
Rot. Bonds7

About 1-[(2S)-1-(1,3-dioxolan-2-yl)-3-hydroxypropan-2-yl]-3-(2-phenylprop-2-enyl)urea

1-[(2S)-1-(1,3-dioxolan-2-yl)-3-hydroxypropan-2-yl]-3-(2-phenylprop-2-enyl)urea (PubChem CID 164636962) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[(2S)-1-(1,3-dioxolan-2-yl)-3-hydroxypropan-2-yl]-3-(2-phenylprop-2-enyl)urea.

Molecular Properties

Compound Name1-[(2S)-1-(1,3-dioxolan-2-yl)-3-hydroxypropan-2-yl]-3-(2-phenylprop-2-enyl)urea
PubChem CID164636962
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-[(2S)-1-(1,3-dioxolan-2-yl)-3-hydroxypropan-2-yl]-3-(2-phenylprop-2-enyl)urea
SMILESC=C(CNC(=O)N[C@H](CO)CC1OCCO1)c1ccccc1
InChIInChI=1S/C16H22N2O4/c1-12(13-5-3-2-4-6-13)10-17-16(20)18-14(11-19)9-15-21-7-8-22-15/h2-6,14-15,19H,1,7-11H2,(H2,17,18,20)/t14-/m0/s1
InChIKeyCAIZCQZSVJXIDD-AWEZNQCLSA-N
XLogP1.12
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-1-(1,3-dioxolan-2-yl)-3-hydroxypropan-2-yl]-3-(2-phenylprop-2-enyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-(1,3-dioxolan-2-yl)-3-hydroxypropan-2-yl]-3-(2-phenylprop-2-enyl)urea?
The IUPAC name of 1-[(2S)-1-(1,3-dioxolan-2-yl)-3-hydroxypropan-2-yl]-3-(2-phenylprop-2-enyl)urea (CID 164636962) is 1-[(2S)-1-(1,3-dioxolan-2-yl)-3-hydroxypropan-2-yl]-3-(2-phenylprop-2-enyl)urea.
What is the SMILES notation for 1-[(2S)-1-(1,3-dioxolan-2-yl)-3-hydroxypropan-2-yl]-3-(2-phenylprop-2-enyl)urea?
The canonical SMILES for 1-[(2S)-1-(1,3-dioxolan-2-yl)-3-hydroxypropan-2-yl]-3-(2-phenylprop-2-enyl)urea is C=C(CNC(=O)N[C@H](CO)CC1OCCO1)c1ccccc1.
What is the InChIKey of 1-[(2S)-1-(1,3-dioxolan-2-yl)-3-hydroxypropan-2-yl]-3-(2-phenylprop-2-enyl)urea?
The InChIKey is CAIZCQZSVJXIDD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12(13-5-3-2-4-6-13)10-17-16(20)18-14(11-19)9-15-21-7-8-22-15/h2-6,14-15,19H,1,7-11H2,(H2,17,18,20)/t14-/m0/s1.
What are the key properties of 1-[(2S)-1-(1,3-dioxolan-2-yl)-3-hydroxypropan-2-yl]-3-(2-phenylprop-2-enyl)urea?
1-[(2S)-1-(1,3-dioxolan-2-yl)-3-hydroxypropan-2-yl]-3-(2-phenylprop-2-enyl)urea has a molecular weight of 306.36 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-(1,3-dioxolan-2-yl)-3-hydroxypropan-2-yl]-3-(2-phenylprop-2-enyl)urea is sourced from PubChem (CID 164636962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).