N-[(5-amino-2-methylphenyl)methyl-formylamino]formamide;pentanal

C15H23N3O3 — CID 156882522

IUPACN-[(5-amino-2-methylphenyl)methyl-formylamino]formamide;pentanal
SMILESCCCCC=O.Cc1ccc(N)cc1CN(C=O)NC=O
InChIInChI=1S/C10H13N3O2.C5H10O/c1-8-2-3-10(11)4-9(8)5-13(7-15)12-6-14;1-2-3-4-5-6/h2-4,6-7H,5,11H2,1H3,(H,12,14);5H,2-4H2,1H3
InChIKeyRZFHJZQBZQGDRJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.57
Rot. Bonds8

About N-[(5-amino-2-methylphenyl)methyl-formylamino]formamide;pentanal

N-[(5-amino-2-methylphenyl)methyl-formylamino]formamide;pentanal (PubChem CID 156882522) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(5-amino-2-methylphenyl)methyl-formylamino]formamide;pentanal.

Molecular Properties

Compound NameN-[(5-amino-2-methylphenyl)methyl-formylamino]formamide;pentanal
PubChem CID156882522
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[(5-amino-2-methylphenyl)methyl-formylamino]formamide;pentanal
SMILESCCCCC=O.Cc1ccc(N)cc1CN(C=O)NC=O
InChIInChI=1S/C10H13N3O2.C5H10O/c1-8-2-3-10(11)4-9(8)5-13(7-15)12-6-14;1-2-3-4-5-6/h2-4,6-7H,5,11H2,1H3,(H,12,14);5H,2-4H2,1H3
InChIKeyRZFHJZQBZQGDRJ-UHFFFAOYSA-N
XLogP1.57
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-methylphenyl)methyl-formylamino]formamide;pentanal?
The IUPAC name of N-[(5-amino-2-methylphenyl)methyl-formylamino]formamide;pentanal (CID 156882522) is N-[(5-amino-2-methylphenyl)methyl-formylamino]formamide;pentanal.
What is the SMILES notation for N-[(5-amino-2-methylphenyl)methyl-formylamino]formamide;pentanal?
The canonical SMILES for N-[(5-amino-2-methylphenyl)methyl-formylamino]formamide;pentanal is CCCCC=O.Cc1ccc(N)cc1CN(C=O)NC=O.
What is the InChIKey of N-[(5-amino-2-methylphenyl)methyl-formylamino]formamide;pentanal?
The InChIKey is RZFHJZQBZQGDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2.C5H10O/c1-8-2-3-10(11)4-9(8)5-13(7-15)12-6-14;1-2-3-4-5-6/h2-4,6-7H,5,11H2,1H3,(H,12,14);5H,2-4H2,1H3.
What are the key properties of N-[(5-amino-2-methylphenyl)methyl-formylamino]formamide;pentanal?
N-[(5-amino-2-methylphenyl)methyl-formylamino]formamide;pentanal has a molecular weight of 293.37 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-methylphenyl)methyl-formylamino]formamide;pentanal is sourced from PubChem (CID 156882522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).