2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide

C17H24N4O3 — CID 120795442

IUPAC2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
SMILESNC(C(=O)Nc1cccc(N2CCCNC2=O)c1)C1CCOCC1
InChIInChI=1S/C17H24N4O3/c18-15(12-5-9-24-10-6-12)16(22)20-13-3-1-4-14(11-13)21-8-2-7-19-17(21)23/h1,3-4,11-12,15H,2,5-10,18H2,(H,19,23)(H,20,22)
InChIKeyHLUKEPWTYRGUMW-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.30
Rot. Bonds4

About 2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide

2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide (PubChem CID 120795442) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
PubChem CID120795442
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
SMILESNC(C(=O)Nc1cccc(N2CCCNC2=O)c1)C1CCOCC1
InChIInChI=1S/C17H24N4O3/c18-15(12-5-9-24-10-6-12)16(22)20-13-3-1-4-14(11-13)21-8-2-7-19-17(21)23/h1,3-4,11-12,15H,2,5-10,18H2,(H,19,23)(H,20,22)
InChIKeyHLUKEPWTYRGUMW-UHFFFAOYSA-N
XLogP1.30
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]pentanamide;hydrochloride
CID 119338335
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
(2R)-2-methoxy-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylacetamide
CID 124607892
2-methoxy-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]-2-phenylacetamide
CID 122160047
2-amino-2-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 120784046
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
1-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclopropane-1-carboxamide
CID 119809530
3-amino-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119809541
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-[3-(2-oxoimidazolidin-1-yl)phenyl]urea
CID 51116384
2-amino-2-(oxan-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 120784140

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide (CID 120795442) is 2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide is NC(C(=O)Nc1cccc(N2CCCNC2=O)c1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide?
The InChIKey is HLUKEPWTYRGUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c18-15(12-5-9-24-10-6-12)16(22)20-13-3-1-4-14(11-13)21-8-2-7-19-17(21)23/h1,3-4,11-12,15H,2,5-10,18H2,(H,19,23)(H,20,22).
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide?
2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide has a molecular weight of 332.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide is sourced from PubChem (CID 120795442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).