1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea

C17H25N3O3 — CID 110626175

IUPAC1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea
SMILESCCC(C)NC(=O)NC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C17H25N3O3/c1-3-13(2)18-17(22)19-15(14-7-5-4-6-8-14)16(21)20-9-11-23-12-10-20/h4-8,13,15H,3,9-12H2,1-2H3,(H2,18,19,22)
InChIKeyOAZSBPDUHMVYNW-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.68
Rot. Bonds5

About 1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea

1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea (PubChem CID 110626175) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea.

Molecular Properties

Compound Name1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea
PubChem CID110626175
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea
SMILESCCC(C)NC(=O)NC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C17H25N3O3/c1-3-13(2)18-17(22)19-15(14-7-5-4-6-8-14)16(21)20-9-11-23-12-10-20/h4-8,13,15H,3,9-12H2,1-2H3,(H2,18,19,22)
InChIKeyOAZSBPDUHMVYNW-UHFFFAOYSA-N
XLogP1.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea with MolForge

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Related Compounds

ethyl N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]carbamate
CID 110286950
N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-2-phenylacetamide
CID 110286922
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286907
3-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylbutanamide
CID 110306164
(2R)-2-[[(2S)-butan-2-yl]carbamoylamino]-N-methyl-2-phenylacetamide
CID 95320744
(E)-2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3-phenylprop-2-enamide
CID 110306183
(2S)-1-morpholin-4-yl-2-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-phenylethanone
CID 97227101
N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-2-naphthalen-1-ylacetamide
CID 51960254
3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286919
4-[(2S)-2-(dimethylsulfamoylamino)-2-phenylacetyl]morpholine
CID 110286962
2-(3,4-dimethoxyphenyl)-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]acetamide
CID 110286938

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea?
The IUPAC name of 1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea (CID 110626175) is 1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea.
What is the SMILES notation for 1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea?
The canonical SMILES for 1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea is CCC(C)NC(=O)NC(C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea?
The InChIKey is OAZSBPDUHMVYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-13(2)18-17(22)19-15(14-7-5-4-6-8-14)16(21)20-9-11-23-12-10-20/h4-8,13,15H,3,9-12H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea?
1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea has a molecular weight of 319.41 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(2-morpholin-4-yl-2-oxo-1-phenylethyl)urea is sourced from PubChem (CID 110626175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).