N-[4-[1-[(4-formylphenyl)methoxy]propan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide

C17H21N5O3 — CID 21349408

IUPACN-[4-[1-[(4-formylphenyl)methoxy]propan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)nc(NC(C)COCc2ccc(C=O)cc2)n1
InChIInChI=1S/C17H21N5O3/c1-11(9-25-10-15-6-4-14(8-23)5-7-15)18-16-19-12(2)20-17(22-16)21-13(3)24/h4-8,11H,9-10H2,1-3H3,(H2,18,19,20,21,22,24)
InChIKeyIZCHYQQPTDHVSY-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.97
Rot. Bonds8

About N-[4-[1-[(4-formylphenyl)methoxy]propan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide

N-[4-[1-[(4-formylphenyl)methoxy]propan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide (PubChem CID 21349408) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[4-[1-[(4-formylphenyl)methoxy]propan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[(4-formylphenyl)methoxy]propan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
PubChem CID21349408
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[4-[1-[(4-formylphenyl)methoxy]propan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)nc(NC(C)COCc2ccc(C=O)cc2)n1
InChIInChI=1S/C17H21N5O3/c1-11(9-25-10-15-6-4-14(8-23)5-7-15)18-16-19-12(2)20-17(22-16)21-13(3)24/h4-8,11H,9-10H2,1-3H3,(H2,18,19,20,21,22,24)
InChIKeyIZCHYQQPTDHVSY-UHFFFAOYSA-N
XLogP1.97
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(4-formylphenyl)methoxy]propan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-[4-[1-[(4-formylphenyl)methoxy]propan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide (CID 21349408) is N-[4-[1-[(4-formylphenyl)methoxy]propan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-[4-[1-[(4-formylphenyl)methoxy]propan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-[4-[1-[(4-formylphenyl)methoxy]propan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide is CC(=O)Nc1nc(C)nc(NC(C)COCc2ccc(C=O)cc2)n1.
What is the InChIKey of N-[4-[1-[(4-formylphenyl)methoxy]propan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The InChIKey is IZCHYQQPTDHVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11(9-25-10-15-6-4-14(8-23)5-7-15)18-16-19-12(2)20-17(22-16)21-13(3)24/h4-8,11H,9-10H2,1-3H3,(H2,18,19,20,21,22,24).
What are the key properties of N-[4-[1-[(4-formylphenyl)methoxy]propan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
N-[4-[1-[(4-formylphenyl)methoxy]propan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(4-formylphenyl)methoxy]propan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 21349408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).