1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea

C14H21ClN2O3 — CID 99836600

IUPAC1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea
SMILESCC[C@@H](CNC(=O)NC[C@@H](C)O)Oc1ccccc1Cl
InChIInChI=1S/C14H21ClN2O3/c1-3-11(9-17-14(19)16-8-10(2)18)20-13-7-5-4-6-12(13)15/h4-7,10-11,18H,3,8-9H2,1-2H3,(H2,16,17,19)/t10-,11+/m1/s1
InChIKeyVYXWNUABUSPKOF-MNOVXSKESA-N
MW300.79 g/mol
LogP2.18
Rot. Bonds7

About 1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea

1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea (PubChem CID 99836600) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is 1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea
PubChem CID99836600
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC Name1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea
SMILESCC[C@@H](CNC(=O)NC[C@@H](C)O)Oc1ccccc1Cl
InChIInChI=1S/C14H21ClN2O3/c1-3-11(9-17-14(19)16-8-10(2)18)20-13-7-5-4-6-12(13)15/h4-7,10-11,18H,3,8-9H2,1-2H3,(H2,16,17,19)/t10-,11+/m1/s1
InChIKeyVYXWNUABUSPKOF-MNOVXSKESA-N
XLogP2.18
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea 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

2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide
CID 119813247
N-[2-(2-chlorophenoxy)butyl]prop-2-enamide
CID 146089833
3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide
CID 119340532
N-[2-(2-chlorophenoxy)butyl]-2-(methylamino)acetamide
CID 119813227
2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
4-amino-N-[2-(2-chlorophenoxy)butyl]-3-methoxybutanamide;hydrochloride
CID 120593905
2-[[[2-(2-chlorophenoxy)butylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111968981
N-[(2S)-2-(2-chlorophenoxy)butyl]-5-(hydroxymethyl)-3-methylfuran-2-carboxamide
CID 124877623
3-(2-chlorophenoxy)pentanoic acid
CID 114990652
2-amino-N-[2-(2-chlorophenoxy)butyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957708
N-[2-(2-chlorophenoxy)butyl]piperidine-2-carboxamide
CID 119340528
1-[2-(2-chlorophenoxy)propyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111508519

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea?
The IUPAC name of 1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea (CID 99836600) is 1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea.
What is the SMILES notation for 1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea?
The canonical SMILES for 1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea is CC[C@@H](CNC(=O)NC[C@@H](C)O)Oc1ccccc1Cl.
What is the InChIKey of 1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea?
The InChIKey is VYXWNUABUSPKOF-MNOVXSKESA-N. The full InChI is InChI=1S/C14H21ClN2O3/c1-3-11(9-17-14(19)16-8-10(2)18)20-13-7-5-4-6-12(13)15/h4-7,10-11,18H,3,8-9H2,1-2H3,(H2,16,17,19)/t10-,11+/m1/s1.
What are the key properties of 1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea?
1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea has a molecular weight of 300.79 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea is sourced from PubChem (CID 99836600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).