N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

C18H23N3O5 — CID 55580371

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCOc1ccc(C(C)NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c(OC)c1
InChIInChI=1S/C18H23N3O5/c1-10(13-6-5-12(25-3)9-15(13)26-4)19-16(22)8-7-14-11(2)20-18(24)21-17(14)23/h5-6,9-10H,7-8H2,1-4H3,(H,19,22)(H2,20,21,23,24)
InChIKeyNZMDOMKZMCFWAZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.20
Rot. Bonds7

About N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 55580371) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
PubChem CID55580371
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCOc1ccc(C(C)NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c(OC)c1
InChIInChI=1S/C18H23N3O5/c1-10(13-6-5-12(25-3)9-15(13)26-4)19-16(22)8-7-14-11(2)20-18(24)21-17(14)23/h5-6,9-10H,7-8H2,1-4H3,(H,19,22)(H2,20,21,23,24)
InChIKeyNZMDOMKZMCFWAZ-UHFFFAOYSA-N
XLogP1.20
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 52510712
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 38836509
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 134053765
3-(1,3-benzothiazol-2-yl)-N-[1-(2,4-dimethoxyphenyl)ethyl]propanamide
CID 55579307
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 35355755
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(2-phenylethoxy)acetamide
CID 86871732
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-ynylamino)acetamide
CID 79286643
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 9478271
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79285372
2-(3,4-dichlorophenyl)-N-[1-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 55580869

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (CID 55580371) is N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is COc1ccc(C(C)NC(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is NZMDOMKZMCFWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-10(13-6-5-12(25-3)9-15(13)26-4)19-16(22)8-7-14-11(2)20-18(24)21-17(14)23/h5-6,9-10H,7-8H2,1-4H3,(H,19,22)(H2,20,21,23,24).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 361.40 g/mol, XLogP of 1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 55580371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).