N-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide

C13H20N2O3 — CID 163403698

IUPACN-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide
SMILESCOc1cccc(CCNCCNC=O)c1OC
InChIInChI=1S/C13H20N2O3/c1-17-12-5-3-4-11(13(12)18-2)6-7-14-8-9-15-10-16/h3-5,10,14H,6-9H2,1-2H3,(H,15,16)
InChIKeyWQKLSJABFNLFAS-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.58
Rot. Bonds9

About N-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide

N-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide (PubChem CID 163403698) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide
PubChem CID163403698
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide
SMILESCOc1cccc(CCNCCNC=O)c1OC
InChIInChI=1S/C13H20N2O3/c1-17-12-5-3-4-11(13(12)18-2)6-7-14-8-9-15-10-16/h3-5,10,14H,6-9H2,1-2H3,(H,15,16)
InChIKeyWQKLSJABFNLFAS-UHFFFAOYSA-N
XLogP0.58
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.58
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'}

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Related Compounds

1,2-dimethoxy-3-[2-(sulfamoylamino)ethyl]benzene
CID 71659103
3-(2,3-dimethoxyphenyl)-N-methylpropan-1-amine
CID 54776109
CID 59317356
CID 59317356
N-[2-[3-methoxy-2-(2-phenylethoxy)phenyl]ethyl]propan-1-amine
CID 70269096
O-[2-(2,3-dimethoxyphenyl)ethyl]hydroxylamine
CID 83484924
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
(E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-3-phenylprop-2-enamide
CID 155112281
(E)-N-[2-(2,3-dimethoxyphenyl)ethyl]-4,4,4-trifluorobut-2-enamide
CID 167855539
N-[2-(2-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 106261219
N-[2-(2,3-dimethoxyphenyl)ethyl]-2,6-difluorobenzenesulfonamide
CID 3449408
N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide
CID 28732222
(2,3-dimethoxyphenyl)methanesulfonic acid
CID 174487670

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide?
The IUPAC name of N-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide (CID 163403698) is N-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide.
What is the SMILES notation for N-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide?
The canonical SMILES for N-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide is COc1cccc(CCNCCNC=O)c1OC.
What is the InChIKey of N-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide?
The InChIKey is WQKLSJABFNLFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-17-12-5-3-4-11(13(12)18-2)6-7-14-8-9-15-10-16/h3-5,10,14H,6-9H2,1-2H3,(H,15,16).
What are the key properties of N-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide?
N-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide has a molecular weight of 252.31 g/mol, XLogP of 0.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,3-dimethoxyphenyl)ethylamino]ethyl]formamide is sourced from PubChem (CID 163403698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).