N-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide

C14H23NO2 — CID 142122290

IUPACN-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide
SMILESCCCOC1(C)C(C)=CC=CC1NC(=O)CC
InChIInChI=1S/C14H23NO2/c1-5-10-17-14(4)11(3)8-7-9-12(14)15-13(16)6-2/h7-9,12H,5-6,10H2,1-4H3,(H,15,16)
InChIKeyHOHVRLRBOLMRDY-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.58
Rot. Bonds5

About N-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide

N-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide (PubChem CID 142122290) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide
PubChem CID142122290
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide
SMILESCCCOC1(C)C(C)=CC=CC1NC(=O)CC
InChIInChI=1S/C14H23NO2/c1-5-10-17-14(4)11(3)8-7-9-12(14)15-13(16)6-2/h7-9,12H,5-6,10H2,1-4H3,(H,15,16)
InChIKeyHOHVRLRBOLMRDY-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2S)-3-fluoro-2-(2-methylpropanoylamino)-1-phenylpropyl] acetate;yttrium
CID 59753079
5-amino-N-[2-methyl-4-[2-(methylamino)ethoxymethyl]cyclohexa-2,4-dien-1-yl]pentanamide
CID 71040546
N-[2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethyl]acetamide
CID 91252463
N-hex-1-en-3-yl-2-(4-methylcyclohexa-1,5-dien-1-yl)oxyacetamide
CID 138546457
N-[3-(1,4-dimethylcyclohexa-2,4-dien-1-yl)oxypropyl]propanamide
CID 142103653
N'-(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide
CID 142592248
6-ethyl-2,2-dimethyl-4a,8a-dihydro-4H-1,4-benzoxazin-3-one
CID 143588825
N,N'-bis(3-tert-butyl-6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide
CID 151250063
N,N'-bis(6-ethoxy-6-ethylcyclohexa-2,4-dien-1-yl)oxamide
CID 152567326
N-(6-methoxycyclohexa-2,4-dien-1-yl)pentanamide
CID 156435042
N-[2-(cyclohexa-1,5-dien-1-ylmethoxy)propyl]-2-methylpropanamide;molecular hydrogen
CID 170755581
N-(1-cyclohepta-1,4,6-trien-1-yl-1-methoxy-3-methylbutan-2-yl)acetamide
CID 143363033

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide?
The IUPAC name of N-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide (CID 142122290) is N-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide.
What is the SMILES notation for N-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide?
The canonical SMILES for N-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide is CCCOC1(C)C(C)=CC=CC1NC(=O)CC.
What is the InChIKey of N-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide?
The InChIKey is HOHVRLRBOLMRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-10-17-14(4)11(3)8-7-9-12(14)15-13(16)6-2/h7-9,12H,5-6,10H2,1-4H3,(H,15,16).
What are the key properties of N-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide?
N-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide has a molecular weight of 237.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-6-propoxycyclohexa-2,4-dien-1-yl)propanamide is sourced from PubChem (CID 142122290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).