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

C19H23N3O4 — CID 51302176

IUPACN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCOc1ccc(CN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C2CC2)cc1
InChIInChI=1S/C19H23N3O4/c1-12-16(18(24)21-19(25)20-12)9-10-17(23)22(14-5-6-14)11-13-3-7-15(26-2)8-4-13/h3-4,7-8,14H,5-6,9-11H2,1-2H3,(H2,20,21,24,25)
InChIKeyNVMRMWXDVLZKDH-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.50
Rot. Bonds7

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

N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 51302176) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
PubChem CID51302176
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCOc1ccc(CN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C2CC2)cc1
InChIInChI=1S/C19H23N3O4/c1-12-16(18(24)21-19(25)20-12)9-10-17(23)22(14-5-6-14)11-13-3-7-15(26-2)8-4-13/h3-4,7-8,14H,5-6,9-11H2,1-2H3,(H2,20,21,24,25)
InChIKeyNVMRMWXDVLZKDH-UHFFFAOYSA-N
XLogP1.50
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 131904345
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258780
3-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 39350832
4-amino-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 54869898
N-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 52510712
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137281158
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 34441928
N-cyclopropyl-2-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 75462168
N-cyclopropyl-3-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 26378402
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-2-(methylamino)acetamide
CID 60686602
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 55622541
ethyl 5-[cyclopropyl-[(4-methoxyphenyl)methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51206692

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (CID 51302176) is N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is COc1ccc(CN(C(=O)CCc2c(C)[nH]c(=O)[nH]c2=O)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is NVMRMWXDVLZKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-12-16(18(24)21-19(25)20-12)9-10-17(23)22(14-5-6-14)11-13-3-7-15(26-2)8-4-13/h3-4,7-8,14H,5-6,9-11H2,1-2H3,(H2,20,21,24,25).
What are the key properties of N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 357.41 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 51302176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).