1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea

C16H20ClN3O2 — CID 95315480

IUPAC1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea
SMILESC#CCNC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C16H20ClN3O2/c1-2-6-18-16(21)19-12-15(20-7-9-22-10-8-20)13-4-3-5-14(17)11-13/h1,3-5,11,15H,6-10,12H2,(H2,18,19,21)/t15-/m0/s1
InChIKeyVJCQHGAKCMXJKQ-HNNXBMFYSA-N
MW321.81 g/mol
LogP1.65
Rot. Bonds5

About 1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea

1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea (PubChem CID 95315480) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea.

Molecular Properties

Compound Name1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea
PubChem CID95315480
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea
SMILESC#CCNC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C16H20ClN3O2/c1-2-6-18-16(21)19-12-15(20-7-9-22-10-8-20)13-4-3-5-14(17)11-13/h1,3-5,11,15H,6-10,12H2,(H2,18,19,21)/t15-/m0/s1
InChIKeyVJCQHGAKCMXJKQ-HNNXBMFYSA-N
XLogP1.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea 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

1-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(4-methylsulfanylphenyl)methyl]urea
CID 86882877
2-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-prop-2-ynylguanidine
CID 111849199
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51108370
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]propan-2-amine
CID 58948569
2-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(oxan-4-yl)acetamide
CID 120799806
1-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-(2-methylpropyl)urea
CID 110621889
1-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dimethylguanidine
CID 99845927
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119875158
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472
7-amino-N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]heptanamide;dihydrochloride
CID 119875126
1-(3-chlorophenyl)-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]urea
CID 18589035
3-chloro-N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 112506584

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea?
The IUPAC name of 1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea (CID 95315480) is 1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea.
What is the SMILES notation for 1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea?
The canonical SMILES for 1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea is C#CCNC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1.
What is the InChIKey of 1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea?
The InChIKey is VJCQHGAKCMXJKQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-2-6-18-16(21)19-12-15(20-7-9-22-10-8-20)13-4-3-5-14(17)11-13/h1,3-5,11,15H,6-10,12H2,(H2,18,19,21)/t15-/m0/s1.
What are the key properties of 1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea?
1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea has a molecular weight of 321.81 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea is sourced from PubChem (CID 95315480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).