N-(3-diethoxyphosphoryl-3-hydroxypropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C14H24N3O7P — CID 137346213

IUPACN-(3-diethoxyphosphoryl-3-hydroxypropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCCOP(=O)(OCC)C(O)CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C14H24N3O7P/c1-4-23-25(22,24-5-2)12(19)6-7-15-11(18)9-17-8-10(3)13(20)16-14(17)21/h8,12,19H,4-7,9H2,1-3H3,(H,15,18)(H,16,20,21)
InChIKeyYXLULGUAAPLUPN-UHFFFAOYSA-N
MW377.33 g/mol
LogP-0.06
Rot. Bonds10

About N-(3-diethoxyphosphoryl-3-hydroxypropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-(3-diethoxyphosphoryl-3-hydroxypropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 137346213) has the molecular formula C14H24N3O7P and a molecular weight of 377.33 g/mol. Its IUPAC name is N-(3-diethoxyphosphoryl-3-hydroxypropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-diethoxyphosphoryl-3-hydroxypropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID137346213
Molecular FormulaC14H24N3O7P
Molecular Weight377.33 g/mol
Exact Mass377.14
IUPAC NameN-(3-diethoxyphosphoryl-3-hydroxypropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCCOP(=O)(OCC)C(O)CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C14H24N3O7P/c1-4-23-25(22,24-5-2)12(19)6-7-15-11(18)9-17-8-10(3)13(20)16-14(17)21/h8,12,19H,4-7,9H2,1-3H3,(H,15,18)(H,16,20,21)
InChIKeyYXLULGUAAPLUPN-UHFFFAOYSA-N
XLogP-0.06
TPSA139.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(3-diethoxyphosphoryl-3-hydroxypropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide 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

methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 45280797
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 90652303
N-(3-methylbutyl)-2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetamide
CID 63811447
N-ethyl-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60759943
3-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-pentylpropanamide
CID 11277154
N-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 99930693
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-(2-methylphenyl)acetamide
CID 35177235
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 125167255
1-(4-diethoxyphosphoryl-2-methylhepta-2,3-dienyl)-5-methylpyrimidine-2,4-dione
CID 11337676
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
ethyl (2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butanoate
CID 101070065

Frequently Asked Questions

What is the IUPAC name of N-(3-diethoxyphosphoryl-3-hydroxypropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-diethoxyphosphoryl-3-hydroxypropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 137346213) is N-(3-diethoxyphosphoryl-3-hydroxypropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-diethoxyphosphoryl-3-hydroxypropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-diethoxyphosphoryl-3-hydroxypropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is CCOP(=O)(OCC)C(O)CCNC(=O)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of N-(3-diethoxyphosphoryl-3-hydroxypropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is YXLULGUAAPLUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N3O7P/c1-4-23-25(22,24-5-2)12(19)6-7-15-11(18)9-17-8-10(3)13(20)16-14(17)21/h8,12,19H,4-7,9H2,1-3H3,(H,15,18)(H,16,20,21).
What are the key properties of N-(3-diethoxyphosphoryl-3-hydroxypropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-(3-diethoxyphosphoryl-3-hydroxypropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 377.33 g/mol, XLogP of -0.06, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-diethoxyphosphoryl-3-hydroxypropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 137346213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).