1-[2-(4-phenylmorpholin-2-yl)ethyl]-3-propan-2-ylurea

C16H25N3O2 — CID 110746999

IUPAC1-[2-(4-phenylmorpholin-2-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCC1CN(c2ccccc2)CCO1
InChIInChI=1S/C16H25N3O2/c1-13(2)18-16(20)17-9-8-15-12-19(10-11-21-15)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,17,18,20)
InChIKeyUJWBRBUWXFGMKF-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.99
Rot. Bonds5

About 1-[2-(4-phenylmorpholin-2-yl)ethyl]-3-propan-2-ylurea

1-[2-(4-phenylmorpholin-2-yl)ethyl]-3-propan-2-ylurea (PubChem CID 110746999) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[2-(4-phenylmorpholin-2-yl)ethyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(4-phenylmorpholin-2-yl)ethyl]-3-propan-2-ylurea
PubChem CID110746999
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-[2-(4-phenylmorpholin-2-yl)ethyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)NCCC1CN(c2ccccc2)CCO1
InChIInChI=1S/C16H25N3O2/c1-13(2)18-16(20)17-9-8-15-12-19(10-11-21-15)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,17,18,20)
InChIKeyUJWBRBUWXFGMKF-UHFFFAOYSA-N
XLogP1.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-phenylmorpholin-2-yl)ethyl]-3-propan-2-ylurea 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

2,2-dimethyl-N-[2-(4-phenylmorpholin-2-yl)ethyl]propanamide
CID 110709813
2-methoxy-N-[2-(4-phenylmorpholin-2-yl)ethyl]benzamide
CID 110709826
N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 70790066
3-methoxy-N-[2-(4-phenylmorpholin-2-yl)ethyl]benzamide
CID 110709827
1-benzyl-3-[2-(4-methylmorpholin-2-yl)ethyl]urea
CID 110747007
(2S)-2-amino-2-phenyl-N-[[(2S)-4-phenylmorpholin-2-yl]methyl]acetamide
CID 69280674
3-methyl-N-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]butanamide
CID 56913727
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-(1-methyl-6-oxopyridazin-4-yl)morpholin-2-yl]ethyl]urea
CID 72941383
3-(2-ethylmorpholin-4-yl)benzoic acid
CID 102822701
1-(4-hydroxy-4-phenylbutan-2-yl)-3-[2-(oxan-2-yl)ethyl]urea
CID 110025026
(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269
N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide
CID 95726375

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-phenylmorpholin-2-yl)ethyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(4-phenylmorpholin-2-yl)ethyl]-3-propan-2-ylurea (CID 110746999) is 1-[2-(4-phenylmorpholin-2-yl)ethyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(4-phenylmorpholin-2-yl)ethyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(4-phenylmorpholin-2-yl)ethyl]-3-propan-2-ylurea is CC(C)NC(=O)NCCC1CN(c2ccccc2)CCO1.
What is the InChIKey of 1-[2-(4-phenylmorpholin-2-yl)ethyl]-3-propan-2-ylurea?
The InChIKey is UJWBRBUWXFGMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13(2)18-16(20)17-9-8-15-12-19(10-11-21-15)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[2-(4-phenylmorpholin-2-yl)ethyl]-3-propan-2-ylurea?
1-[2-(4-phenylmorpholin-2-yl)ethyl]-3-propan-2-ylurea has a molecular weight of 291.40 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-phenylmorpholin-2-yl)ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 110746999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).