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

C19H24N4O5 — CID 55484737

IUPACN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O5/c1-4-23(11-16(24)21-13-6-5-7-14(10-13)28-3)17(25)9-8-15-12(2)20-19(27)22-18(15)26/h5-7,10H,4,8-9,11H2,1-3H3,(H,21,24)(H2,20,22,26,27)
InChIKeyIMHXFYQVTSYIIP-UHFFFAOYSA-N
MW388.42 g/mol
LogP0.80
Rot. Bonds8

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

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 55484737) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
PubChem CID55484737
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O5/c1-4-23(11-16(24)21-13-6-5-7-14(10-13)28-3)17(25)9-8-15-12(2)20-19(27)22-18(15)26/h5-7,10H,4,8-9,11H2,1-3H3,(H,21,24)(H2,20,22,26,27)
InChIKeyIMHXFYQVTSYIIP-UHFFFAOYSA-N
XLogP0.80
TPSA124.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxyphenyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 154858210
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
4-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]pentanamide
CID 120559009
3-(2-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 34778531
3-(2-aminophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide;hydrochloride
CID 120608072
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 78797825
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 43011201
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 7958649
N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 46582138
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55702362
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]butanamide
CID 97099240

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (CID 55484737) is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)CCc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is IMHXFYQVTSYIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-4-23(11-16(24)21-13-6-5-7-14(10-13)28-3)17(25)9-8-15-12(2)20-19(27)22-18(15)26/h5-7,10H,4,8-9,11H2,1-3H3,(H,21,24)(H2,20,22,26,27).
What are the key properties of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 388.42 g/mol, XLogP of 0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 55484737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).