2-methoxy-N,N-dimethyl-4-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide

C28H26N4O4 — CID 505073

IUPAC2-methoxy-N,N-dimethyl-4-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide
SMILESCOc1cc(N(Cc2ccc3ccccc3c2)C(=O)CC(=O)c2ncccn2)ccc1C(=O)N(C)C
InChIInChI=1S/C28H26N4O4/c1-31(2)28(35)23-12-11-22(16-25(23)36-3)32(26(34)17-24(33)27-29-13-6-14-30-27)18-19-9-10-20-7-4-5-8-21(20)15-19/h4-16H,17-18H2,1-3H3
InChIKeyHJORBZRENCEGRV-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.15
Rot. Bonds8

About 2-methoxy-N,N-dimethyl-4-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide

2-methoxy-N,N-dimethyl-4-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide (PubChem CID 505073) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-4-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide.

Molecular Properties

Compound Name2-methoxy-N,N-dimethyl-4-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide
PubChem CID505073
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC Name2-methoxy-N,N-dimethyl-4-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide
SMILESCOc1cc(N(Cc2ccc3ccccc3c2)C(=O)CC(=O)c2ncccn2)ccc1C(=O)N(C)C
InChIInChI=1S/C28H26N4O4/c1-31(2)28(35)23-12-11-22(16-25(23)36-3)32(26(34)17-24(33)27-29-13-6-14-30-27)18-19-9-10-20-7-4-5-8-21(20)15-19/h4-16H,17-18H2,1-3H3
InChIKeyHJORBZRENCEGRV-UHFFFAOYSA-N
XLogP4.15
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-[[4-amino-5-(2-methoxybenzoyl)pyrimidin-2-yl]amino]-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 56669862
2-chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]-(2-naphthylmethyl)amino]-N,N-dimethyl-benzamide
CID 505117
2-Chloro-4-[[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]-(2-naphthylmethyl)amino]benzoic acid
CID 505124
N-(4-methoxyphenyl)-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 505008
4-[2-Naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid
CID 505045
2-Methoxy-4-[2-naphthylmethyl-(3-oxo-3-pyrimidin-2-yl-propanoyl)amino]benzoic acid
CID 505098
N-(3-isopropoxyphenyl)-N-(2-naphthylmethyl)-3-oxo-3-pyrimidin-2-yl-propanamide
CID 505115
5-{[3-(4-Methoxy-pyrimidin-2-yl)-3-oxo-propionyl]-naphthalen-2-ylmethyl-amino}-N,N,N',N'-tetramethyl-isophthalamide
CID 505118
3-[[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]-(2-naphthylmethyl)amino]-N,N-dimethyl-benzamide
CID 505119
4-[[3-(4-Methoxypyrimidin-2-yl)-3-oxo-propanoyl]-(2-naphthylmethyl)amino]benzoic acid
CID 505121
4-[[3-(4-methoxypyrimidin-2-yl)-3-oxo-propanoyl]-(2-naphthylmethyl)amino]-N,N-dimethyl-benzamide
CID 505125
N-[(3,4-dichlorophenyl)methyl]-N-[3-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-3-oxo-3-pyrimidin-2-yl-propanamide
CID 505294

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethyl-4-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide?
The IUPAC name of 2-methoxy-N,N-dimethyl-4-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide (CID 505073) is 2-methoxy-N,N-dimethyl-4-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide.
What is the SMILES notation for 2-methoxy-N,N-dimethyl-4-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide?
The canonical SMILES for 2-methoxy-N,N-dimethyl-4-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide is COc1cc(N(Cc2ccc3ccccc3c2)C(=O)CC(=O)c2ncccn2)ccc1C(=O)N(C)C.
What is the InChIKey of 2-methoxy-N,N-dimethyl-4-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide?
The InChIKey is HJORBZRENCEGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-31(2)28(35)23-12-11-22(16-25(23)36-3)32(26(34)17-24(33)27-29-13-6-14-30-27)18-19-9-10-20-7-4-5-8-21(20)15-19/h4-16H,17-18H2,1-3H3.
What are the key properties of 2-methoxy-N,N-dimethyl-4-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide?
2-methoxy-N,N-dimethyl-4-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide has a molecular weight of 482.54 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethyl-4-[naphthalen-2-ylmethyl-(3-oxo-3-pyrimidin-2-ylpropanoyl)amino]benzamide is sourced from PubChem (CID 505073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).