ethyl (4S)-6-[[2-[(3-methoxybenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C19H23N3O7 — CID 11918476

IUPACethyl (4S)-6-[[2-[(3-methoxybenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)CNC(=O)c2cccc(OC)c2)NC(=O)N[C@H]1C
InChIInChI=1S/C19H23N3O7/c1-4-28-18(25)16-11(2)21-19(26)22-14(16)10-29-15(23)9-20-17(24)12-6-5-7-13(8-12)27-3/h5-8,11H,4,9-10H2,1-3H3,(H,20,24)(H2,21,22,26)/t11-/m0/s1
InChIKeyFOYFMULXLMUQIS-NSHDSACASA-N
MW405.41 g/mol
LogP0.49
Rot. Bonds8

About ethyl (4S)-6-[[2-[(3-methoxybenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl (4S)-6-[[2-[(3-methoxybenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 11918476) has the molecular formula C19H23N3O7 and a molecular weight of 405.41 g/mol. Its IUPAC name is ethyl (4S)-6-[[2-[(3-methoxybenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-6-[[2-[(3-methoxybenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID11918476
Molecular FormulaC19H23N3O7
Molecular Weight405.41 g/mol
Exact Mass405.15
IUPAC Nameethyl (4S)-6-[[2-[(3-methoxybenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)CNC(=O)c2cccc(OC)c2)NC(=O)N[C@H]1C
InChIInChI=1S/C19H23N3O7/c1-4-28-18(25)16-11(2)21-19(26)22-14(16)10-29-15(23)9-20-17(24)12-6-5-7-13(8-12)27-3/h5-8,11H,4,9-10H2,1-3H3,(H,20,24)(H2,21,22,26)/t11-/m0/s1
InChIKeyFOYFMULXLMUQIS-NSHDSACASA-N
XLogP0.49
TPSA132.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

ethyl 6-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55320198
ethyl (4R)-6-[[2-[(4-chlorobenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7899220
ethyl 4-(4-methoxyphenyl)-6-[[2-[(3-methylbenzoyl)amino]acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46789728
ethyl (4R)-4-methyl-2-oxo-6-[(4-oxo-4-phenylbutanoyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 9467887
ethyl 6-[(3-chlorobenzoyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 24819890
ethyl 6-[(3-iodobenzoyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55313893
ethyl (4S)-4-methyl-2-oxo-6-[[2-[3-(trifluoromethyl)phenoxy]acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7853939
ethyl (4S)-4-methyl-6-[[(2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41071872
ethyl (4R)-4-ethyl-6-[[2-[(4-fluorobenzoyl)amino]acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7877964
(4-fluorophenyl)methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7899297
ethyl 4-methyl-6-[(2-naphthalen-2-yloxyacetyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55315825
ethyl 6-[[2-[(3,4-dimethylphenyl)sulfonylamino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4842507

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-6-[[2-[(3-methoxybenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl (4S)-6-[[2-[(3-methoxybenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 11918476) is ethyl (4S)-6-[[2-[(3-methoxybenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl (4S)-6-[[2-[(3-methoxybenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl (4S)-6-[[2-[(3-methoxybenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)CNC(=O)c2cccc(OC)c2)NC(=O)N[C@H]1C.
What is the InChIKey of ethyl (4S)-6-[[2-[(3-methoxybenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is FOYFMULXLMUQIS-NSHDSACASA-N. The full InChI is InChI=1S/C19H23N3O7/c1-4-28-18(25)16-11(2)21-19(26)22-14(16)10-29-15(23)9-20-17(24)12-6-5-7-13(8-12)27-3/h5-8,11H,4,9-10H2,1-3H3,(H,20,24)(H2,21,22,26)/t11-/m0/s1.
What are the key properties of ethyl (4S)-6-[[2-[(3-methoxybenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl (4S)-6-[[2-[(3-methoxybenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 405.41 g/mol, XLogP of 0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-6-[[2-[(3-methoxybenzoyl)amino]acetyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 11918476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).