2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide

C23H19N3O4 — CID 42927482

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC(c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C23H19N3O4/c27-18-11-10-15-6-4-5-9-17(15)21(18)22(16-7-2-1-3-8-16)24-20(29)14-26-13-12-19(28)25-23(26)30/h1-13,22,27H,14H2,(H,24,29)(H,25,28,30)
InChIKeyBNESRQRJIMUXMW-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.30
Rot. Bonds5

About 2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide (PubChem CID 42927482) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
PubChem CID42927482
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NC(c1ccccc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C23H19N3O4/c27-18-11-10-15-6-4-5-9-17(15)21(18)22(16-7-2-1-3-8-16)24-20(29)14-26-13-12-19(28)25-23(26)30/h1-13,22,27H,14H2,(H,24,29)(H,25,28,30)
InChIKeyBNESRQRJIMUXMW-UHFFFAOYSA-N
XLogP2.30
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)-N-[(1R)-1,3-diphenylpropyl]acetamide
CID 52511313
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-naphthalen-2-yloxyacetamide
CID 19165242
2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
CID 721381
2-(2,4-dioxopyrimidin-1-yl)-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 134050105
2-(2,4-dioxopyrimidin-1-yl)-N-[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]acetamide
CID 42925044
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-4-iodobenzamide
CID 19166399
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide
CID 2787112
N-[1-(1-benzofuran-2-yl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 46637117
N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide
CID 877494
N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]butanamide
CID 2876947
N-[(R)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]furan-2-carboxamide
CID 721385
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 94454428

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide (CID 42927482) is 2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NC(c1ccccc1)c1c(O)ccc2ccccc12.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide?
The InChIKey is BNESRQRJIMUXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c27-18-11-10-15-6-4-5-9-17(15)21(18)22(16-7-2-1-3-8-16)24-20(29)14-26-13-12-19(28)25-23(26)30/h1-13,22,27H,14H2,(H,24,29)(H,25,28,30).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide has a molecular weight of 401.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 42927482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).