N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-(ethylamino)acetamide

C12H20N2O — CID 141036067

IUPACN-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-(ethylamino)acetamide
SMILESCCNCC(=O)NC1(C)C=CC=CC1C
InChIInChI=1S/C12H20N2O/c1-4-13-9-11(15)14-12(3)8-6-5-7-10(12)2/h5-8,10,13H,4,9H2,1-3H3,(H,14,15)
InChIKeyPJAMJZQSRUAJPL-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.23
Rot. Bonds4

About N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-(ethylamino)acetamide

N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-(ethylamino)acetamide (PubChem CID 141036067) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-(ethylamino)acetamide.

Molecular Properties

Compound NameN-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-(ethylamino)acetamide
PubChem CID141036067
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-(ethylamino)acetamide
SMILESCCNCC(=O)NC1(C)C=CC=CC1C
InChIInChI=1S/C12H20N2O/c1-4-13-9-11(15)14-12(3)8-6-5-7-10(12)2/h5-8,10,13H,4,9H2,1-3H3,(H,14,15)
InChIKeyPJAMJZQSRUAJPL-UHFFFAOYSA-N
XLogP1.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-(ethylamino)acetamide?
The IUPAC name of N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-(ethylamino)acetamide (CID 141036067) is N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-(ethylamino)acetamide.
What is the SMILES notation for N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-(ethylamino)acetamide?
The canonical SMILES for N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-(ethylamino)acetamide is CCNCC(=O)NC1(C)C=CC=CC1C.
What is the InChIKey of N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-(ethylamino)acetamide?
The InChIKey is PJAMJZQSRUAJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-13-9-11(15)14-12(3)8-6-5-7-10(12)2/h5-8,10,13H,4,9H2,1-3H3,(H,14,15).
What are the key properties of N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-(ethylamino)acetamide?
N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-(ethylamino)acetamide has a molecular weight of 208.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-2-(ethylamino)acetamide is sourced from PubChem (CID 141036067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).