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

C18H23N3O4 — CID 38836509

IUPACN-[(1R)-1-(2-methoxyphenyl)propyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)c1ccccc1OC
InChIInChI=1S/C18H23N3O4/c1-4-14(13-7-5-6-8-15(13)25-3)20-16(22)10-9-12-11(2)19-18(24)21-17(12)23/h5-8,14H,4,9-10H2,1-3H3,(H,20,22)(H2,19,21,23,24)/t14-/m1/s1
InChIKeySXLGSQCEOGNJEL-CQSZACIVSA-N
MW345.40 g/mol
LogP1.58
Rot. Bonds7

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

N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 38836509) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)propyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
PubChem CID38836509
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)propyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)c1ccccc1OC
InChIInChI=1S/C18H23N3O4/c1-4-14(13-7-5-6-8-15(13)25-3)20-16(22)10-9-12-11(2)19-18(24)21-17(12)23/h5-8,14H,4,9-10H2,1-3H3,(H,20,22)(H2,19,21,23,24)/t14-/m1/s1
InChIKeySXLGSQCEOGNJEL-CQSZACIVSA-N
XLogP1.58
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 55580371
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)propan-2-yl]propanamide
CID 47062727
N-[(1R)-1-(2-methoxyphenyl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976267
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-4-methyl-4-phenylpentan-2-yl]propanamide
CID 52511202
N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 30865391
N-[1-(2-methoxyphenyl)propyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 46447077
N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 51983397
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 30865434
2-bromo-N-[1-(2-methoxyphenyl)propyl]butanamide
CID 62855577
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 35355755
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[1-(2-methoxyphenyl)propyl]butanamide
CID 46447025
N-[1-(2-methoxyphenyl)propyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46432396

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (CID 38836509) is N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is CC[C@@H](NC(=O)CCc1c(C)[nH]c(=O)[nH]c1=O)c1ccccc1OC.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is SXLGSQCEOGNJEL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-4-14(13-7-5-6-8-15(13)25-3)20-16(22)10-9-12-11(2)19-18(24)21-17(12)23/h5-8,14H,4,9-10H2,1-3H3,(H,20,22)(H2,19,21,23,24)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 345.40 g/mol, XLogP of 1.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)propyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 38836509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).