3-[(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-methoxymethyl]-4-propoxybenzamide

C20H27N3O4 — CID 137103902

IUPAC3-[(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-methoxymethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(N)=O)cc1C(OC)c1nc(CC)c(CC)c(=O)[nH]1
InChIInChI=1S/C20H27N3O4/c1-5-10-27-16-9-8-12(18(21)24)11-14(16)17(26-4)19-22-15(7-3)13(6-2)20(25)23-19/h8-9,11,17H,5-7,10H2,1-4H3,(H2,21,24)(H,22,23,25)
InChIKeyCSLGUPPNDYQING-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.52
Rot. Bonds9

About 3-[(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-methoxymethyl]-4-propoxybenzamide

3-[(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-methoxymethyl]-4-propoxybenzamide (PubChem CID 137103902) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-[(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-methoxymethyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-[(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-methoxymethyl]-4-propoxybenzamide
PubChem CID137103902
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name3-[(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-methoxymethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(N)=O)cc1C(OC)c1nc(CC)c(CC)c(=O)[nH]1
InChIInChI=1S/C20H27N3O4/c1-5-10-27-16-9-8-12(18(21)24)11-14(16)17(26-4)19-22-15(7-3)13(6-2)20(25)23-19/h8-9,11,17H,5-7,10H2,1-4H3,(H2,21,24)(H,22,23,25)
InChIKeyCSLGUPPNDYQING-UHFFFAOYSA-N
XLogP2.52
TPSA107.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-3-oxopropyl)-3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxybenzamide
CID 137079181
5-(carbamoylamino)-2-[[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxybenzoyl]amino]pentanoic acid
CID 135858101
5-(diaminomethylideneamino)-2-[[3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxybenzoyl]amino]pentanoic acid
CID 136999327
4-amino-3-propoxybenzamide
CID 63356295
4,5-diethyl-2-[5-(1,3,4-oxadiazol-2-yl)-2-propoxyphenyl]-1H-pyrimidin-6-one
CID 135890158
4-butoxy-3-methoxybenzamide
CID 47102628
4-methoxy-3-pentoxybenzamide
CID 82041442
3-(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-4-propoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 135858082
ethyl 2-oxo-2-(3-propan-2-yl-4-propoxyphenyl)acetate
CID 82554095
3-amino-4-butoxybenzamide
CID 43448596
3-amino-4-(2-propoxyethoxy)benzamide
CID 63684317
2-chloro-1-(3-propan-2-yl-4-propoxyphenyl)propan-1-one
CID 82264024

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-methoxymethyl]-4-propoxybenzamide?
The IUPAC name of 3-[(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-methoxymethyl]-4-propoxybenzamide (CID 137103902) is 3-[(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-methoxymethyl]-4-propoxybenzamide.
What is the SMILES notation for 3-[(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-methoxymethyl]-4-propoxybenzamide?
The canonical SMILES for 3-[(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-methoxymethyl]-4-propoxybenzamide is CCCOc1ccc(C(N)=O)cc1C(OC)c1nc(CC)c(CC)c(=O)[nH]1.
What is the InChIKey of 3-[(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-methoxymethyl]-4-propoxybenzamide?
The InChIKey is CSLGUPPNDYQING-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-5-10-27-16-9-8-12(18(21)24)11-14(16)17(26-4)19-22-15(7-3)13(6-2)20(25)23-19/h8-9,11,17H,5-7,10H2,1-4H3,(H2,21,24)(H,22,23,25).
What are the key properties of 3-[(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-methoxymethyl]-4-propoxybenzamide?
3-[(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-methoxymethyl]-4-propoxybenzamide has a molecular weight of 373.45 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-diethyl-6-oxo-1H-pyrimidin-2-yl)-methoxymethyl]-4-propoxybenzamide is sourced from PubChem (CID 137103902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).