N-methyl-3-[(2-phenylacetyl)amino]-N-(2-pyrimidin-2-ylethyl)propanamide

C18H22N4O2 — CID 138013236

IUPACN-methyl-3-[(2-phenylacetyl)amino]-N-(2-pyrimidin-2-ylethyl)propanamide
SMILESCN(CCc1ncccn1)C(=O)CCNC(=O)Cc1ccccc1
InChIInChI=1S/C18H22N4O2/c1-22(13-9-16-19-10-5-11-20-16)18(24)8-12-21-17(23)14-15-6-3-2-4-7-15/h2-7,10-11H,8-9,12-14H2,1H3,(H,21,23)
InChIKeyPTOUSTGOWJBBJV-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.23
Rot. Bonds8

About N-methyl-3-[(2-phenylacetyl)amino]-N-(2-pyrimidin-2-ylethyl)propanamide

N-methyl-3-[(2-phenylacetyl)amino]-N-(2-pyrimidin-2-ylethyl)propanamide (PubChem CID 138013236) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-methyl-3-[(2-phenylacetyl)amino]-N-(2-pyrimidin-2-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-[(2-phenylacetyl)amino]-N-(2-pyrimidin-2-ylethyl)propanamide
PubChem CID138013236
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-methyl-3-[(2-phenylacetyl)amino]-N-(2-pyrimidin-2-ylethyl)propanamide
SMILESCN(CCc1ncccn1)C(=O)CCNC(=O)Cc1ccccc1
InChIInChI=1S/C18H22N4O2/c1-22(13-9-16-19-10-5-11-20-16)18(24)8-12-21-17(23)14-15-6-3-2-4-7-15/h2-7,10-11H,8-9,12-14H2,1H3,(H,21,23)
InChIKeyPTOUSTGOWJBBJV-UHFFFAOYSA-N
XLogP1.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide
CID 43039190
N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 119657358
2-methyl-N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]benzamide
CID 134008685
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-[methyl(2-phenylethyl)amino]-3-oxopropyl]butanamide
CID 155543448
N-methyl-2-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110715989
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide
CID 29416457
2-(4-aminophenyl)-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]acetamide;dihydrochloride
CID 119873300
3-[3-[(2-phenylacetyl)amino]propanoylamino]propanoic acid
CID 119177045
N-methyl-N-[2-(methylamino)ethyl]-2-phenylacetamide
CID 23084464
N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 134017600
6-[methyl(2-phenylethyl)amino]-6-oxohexanoic acid
CID 23043994
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979039

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2-phenylacetyl)amino]-N-(2-pyrimidin-2-ylethyl)propanamide?
The IUPAC name of N-methyl-3-[(2-phenylacetyl)amino]-N-(2-pyrimidin-2-ylethyl)propanamide (CID 138013236) is N-methyl-3-[(2-phenylacetyl)amino]-N-(2-pyrimidin-2-ylethyl)propanamide.
What is the SMILES notation for N-methyl-3-[(2-phenylacetyl)amino]-N-(2-pyrimidin-2-ylethyl)propanamide?
The canonical SMILES for N-methyl-3-[(2-phenylacetyl)amino]-N-(2-pyrimidin-2-ylethyl)propanamide is CN(CCc1ncccn1)C(=O)CCNC(=O)Cc1ccccc1.
What is the InChIKey of N-methyl-3-[(2-phenylacetyl)amino]-N-(2-pyrimidin-2-ylethyl)propanamide?
The InChIKey is PTOUSTGOWJBBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-22(13-9-16-19-10-5-11-20-16)18(24)8-12-21-17(23)14-15-6-3-2-4-7-15/h2-7,10-11H,8-9,12-14H2,1H3,(H,21,23).
What are the key properties of N-methyl-3-[(2-phenylacetyl)amino]-N-(2-pyrimidin-2-ylethyl)propanamide?
N-methyl-3-[(2-phenylacetyl)amino]-N-(2-pyrimidin-2-ylethyl)propanamide has a molecular weight of 326.40 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2-phenylacetyl)amino]-N-(2-pyrimidin-2-ylethyl)propanamide is sourced from PubChem (CID 138013236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).