N-[2-[2-[heptan-4-yl(methyl)amino]ethyl]-4-methoxyphenyl]formamide

C18H30N2O2 — CID 143791246

IUPACN-[2-[2-[heptan-4-yl(methyl)amino]ethyl]-4-methoxyphenyl]formamide
SMILESCCCC(CCC)N(C)CCc1cc(OC)ccc1NC=O
InChIInChI=1S/C18H30N2O2/c1-5-7-16(8-6-2)20(3)12-11-15-13-17(22-4)9-10-18(15)19-14-21/h9-10,13-14,16H,5-8,11-12H2,1-4H3,(H,19,21)
InChIKeyKPNGWBCRYNMDFM-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.71
Rot. Bonds11

About N-[2-[2-[heptan-4-yl(methyl)amino]ethyl]-4-methoxyphenyl]formamide

N-[2-[2-[heptan-4-yl(methyl)amino]ethyl]-4-methoxyphenyl]formamide (PubChem CID 143791246) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[2-[2-[heptan-4-yl(methyl)amino]ethyl]-4-methoxyphenyl]formamide.

Molecular Properties

Compound NameN-[2-[2-[heptan-4-yl(methyl)amino]ethyl]-4-methoxyphenyl]formamide
PubChem CID143791246
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[2-[2-[heptan-4-yl(methyl)amino]ethyl]-4-methoxyphenyl]formamide
SMILESCCCC(CCC)N(C)CCc1cc(OC)ccc1NC=O
InChIInChI=1S/C18H30N2O2/c1-5-7-16(8-6-2)20(3)12-11-15-13-17(22-4)9-10-18(15)19-14-21/h9-10,13-14,16H,5-8,11-12H2,1-4H3,(H,19,21)
InChIKeyKPNGWBCRYNMDFM-UHFFFAOYSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-[2-[heptan-4-yl(methyl)amino]ethyl]-4-methoxyphenyl]formamide?
The IUPAC name of N-[2-[2-[heptan-4-yl(methyl)amino]ethyl]-4-methoxyphenyl]formamide (CID 143791246) is N-[2-[2-[heptan-4-yl(methyl)amino]ethyl]-4-methoxyphenyl]formamide.
What is the SMILES notation for N-[2-[2-[heptan-4-yl(methyl)amino]ethyl]-4-methoxyphenyl]formamide?
The canonical SMILES for N-[2-[2-[heptan-4-yl(methyl)amino]ethyl]-4-methoxyphenyl]formamide is CCCC(CCC)N(C)CCc1cc(OC)ccc1NC=O.
What is the InChIKey of N-[2-[2-[heptan-4-yl(methyl)amino]ethyl]-4-methoxyphenyl]formamide?
The InChIKey is KPNGWBCRYNMDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-5-7-16(8-6-2)20(3)12-11-15-13-17(22-4)9-10-18(15)19-14-21/h9-10,13-14,16H,5-8,11-12H2,1-4H3,(H,19,21).
What are the key properties of N-[2-[2-[heptan-4-yl(methyl)amino]ethyl]-4-methoxyphenyl]formamide?
N-[2-[2-[heptan-4-yl(methyl)amino]ethyl]-4-methoxyphenyl]formamide has a molecular weight of 306.45 g/mol, XLogP of 3.71, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[heptan-4-yl(methyl)amino]ethyl]-4-methoxyphenyl]formamide is sourced from PubChem (CID 143791246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).