N-[4-(dimethylamino)-3-methylphenyl]formamide

C10H14N2O — CID 168653761

IUPACN-[4-(dimethylamino)-3-methylphenyl]formamide
SMILESCc1cc(NC=O)ccc1N(C)C
InChIInChI=1S/C10H14N2O/c1-8-6-9(11-7-13)4-5-10(8)12(2)3/h4-7H,1-3H3,(H,11,13)
InChIKeyLHUXSNPQMXKHNM-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.63
Rot. Bonds3

About N-[4-(dimethylamino)-3-methylphenyl]formamide

N-[4-(dimethylamino)-3-methylphenyl]formamide (PubChem CID 168653761) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-methylphenyl]formamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-methylphenyl]formamide
PubChem CID168653761
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-[4-(dimethylamino)-3-methylphenyl]formamide
SMILESCc1cc(NC=O)ccc1N(C)C
InChIInChI=1S/C10H14N2O/c1-8-6-9(11-7-13)4-5-10(8)12(2)3/h4-7H,1-3H3,(H,11,13)
InChIKeyLHUXSNPQMXKHNM-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-methylphenyl]formamide?
The IUPAC name of N-[4-(dimethylamino)-3-methylphenyl]formamide (CID 168653761) is N-[4-(dimethylamino)-3-methylphenyl]formamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-methylphenyl]formamide?
The canonical SMILES for N-[4-(dimethylamino)-3-methylphenyl]formamide is Cc1cc(NC=O)ccc1N(C)C.
What is the InChIKey of N-[4-(dimethylamino)-3-methylphenyl]formamide?
The InChIKey is LHUXSNPQMXKHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-6-9(11-7-13)4-5-10(8)12(2)3/h4-7H,1-3H3,(H,11,13).
What are the key properties of N-[4-(dimethylamino)-3-methylphenyl]formamide?
N-[4-(dimethylamino)-3-methylphenyl]formamide has a molecular weight of 178.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-methylphenyl]formamide is sourced from PubChem (CID 168653761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).