1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea

C17H25N3O3 — CID 51095578

IUPAC1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N2CCOCC2(C)C)c1
InChIInChI=1S/C17H25N3O3/c1-12(2)18-16(22)19-14-7-5-6-13(10-14)15(21)20-8-9-23-11-17(20,3)4/h5-7,10,12H,8-9,11H2,1-4H3,(H2,18,19,22)
InChIKeyKIRMUBAFGXCLJB-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.47
Rot. Bonds3

About 1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea

1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea (PubChem CID 51095578) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea
PubChem CID51095578
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N2CCOCC2(C)C)c1
InChIInChI=1S/C17H25N3O3/c1-12(2)18-16(22)19-14-7-5-6-13(10-14)15(21)20-8-9-23-11-17(20,3)4/h5-7,10,12H,8-9,11H2,1-4H3,(H2,18,19,22)
InChIKeyKIRMUBAFGXCLJB-UHFFFAOYSA-N
XLogP2.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-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

N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]pentanamide
CID 110353014
1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea
CID 110352798
N-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-fluorobenzamide
CID 110353024
N-[3-(1-hydroxyethyl)phenyl]-3,3-dimethylmorpholine-4-carboxamide
CID 61428602
(3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 110353758
3-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid
CID 76906957
1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120809182
(4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 107074853
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 46439821
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2,6-dimethoxybenzamide
CID 110352783
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
(3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 61428416

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea (CID 51095578) is 1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1cccc(C(=O)N2CCOCC2(C)C)c1.
What is the InChIKey of 1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea?
The InChIKey is KIRMUBAFGXCLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(2)18-16(22)19-14-7-5-6-13(10-14)15(21)20-8-9-23-11-17(20,3)4/h5-7,10,12H,8-9,11H2,1-4H3,(H2,18,19,22).
What are the key properties of 1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea?
1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea has a molecular weight of 319.41 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 51095578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).