N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-ylphenyl)methyl]acetamide

C25H29N3O2 — CID 162662038

IUPACN-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-ylphenyl)methyl]acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2cccc(-c3cncnc3)c2)C(C)C)cc1
InChIInChI=1S/C25H29N3O2/c1-4-6-20-9-11-24(12-10-20)30-17-25(29)28(19(2)3)16-21-7-5-8-22(13-21)23-14-26-18-27-15-23/h5,7-15,18-19H,4,6,16-17H2,1-3H3
InChIKeyOVALOWBPRYIVIF-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.91
Rot. Bonds9

About N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-ylphenyl)methyl]acetamide

N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-ylphenyl)methyl]acetamide (PubChem CID 162662038) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-ylphenyl)methyl]acetamide
PubChem CID162662038
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-ylphenyl)methyl]acetamide
SMILESCCCc1ccc(OCC(=O)N(Cc2cccc(-c3cncnc3)c2)C(C)C)cc1
InChIInChI=1S/C25H29N3O2/c1-4-6-20-9-11-24(12-10-20)30-17-25(29)28(19(2)3)16-21-7-5-8-22(13-21)23-14-26-18-27-15-23/h5,7-15,18-19H,4,6,16-17H2,1-3H3
InChIKeyOVALOWBPRYIVIF-UHFFFAOYSA-N
XLogP4.91
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 5-hexyl-2-[4-(nonyloxy)phenyl]-
CID 3084983
N~4~,N~4~-dimethyl-5-(4-phenoxyphenyl)-2,4-pyrimidinediamine
CID 1473168
Pyrimidine, 5-hexyl-2-[4-(pentyloxy)phenyl]-
CID 12238609
Pyrimidine, 2-[4-(heptyloxy)phenyl]-5-hexyl-
CID 12238611
N-benzyl-2-(4-methylphenoxy)-N-pyridin-2-ylacetamide
CID 698463
5-[(4-Benzyloxy)benzyl]-2,4-diaminopyrimidine
CID 463128
N,N-diethyl-2-[4-[2-[5-(4-methoxyphenyl)pyrimidin-2-yl]ethynyl]phenoxy]ethanamine
CID 10408758
2-[[3-[5-[3-(Dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 25172983
N-{3-[4-(2-Isopropoxypyrimidin-5-yloxy)phenyl]-1-methylpropyl}acetamide
CID 49858287
N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 71664035
5-(4-(Pentyloxy)phenyl)-2-(4-pentylphenyl)pyrimidine
CID 36985
5-[[4-(3-Phenylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 463131

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-ylphenyl)methyl]acetamide?
The IUPAC name of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-ylphenyl)methyl]acetamide (CID 162662038) is N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-ylphenyl)methyl]acetamide?
The canonical SMILES for N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-ylphenyl)methyl]acetamide is CCCc1ccc(OCC(=O)N(Cc2cccc(-c3cncnc3)c2)C(C)C)cc1.
What is the InChIKey of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-ylphenyl)methyl]acetamide?
The InChIKey is OVALOWBPRYIVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-4-6-20-9-11-24(12-10-20)30-17-25(29)28(19(2)3)16-21-7-5-8-22(13-21)23-14-26-18-27-15-23/h5,7-15,18-19H,4,6,16-17H2,1-3H3.
What are the key properties of N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-ylphenyl)methyl]acetamide?
N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-ylphenyl)methyl]acetamide has a molecular weight of 403.53 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4-propylphenoxy)-N-[(3-pyrimidin-5-ylphenyl)methyl]acetamide is sourced from PubChem (CID 162662038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).