N-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide

C24H41NO3 — CID 100741200

IUPACN-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
SMILESCCCOc1c(C)cc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)cc1C
InChIInChI=1S/C24H41NO3/c1-9-11-27-22-19(7)13-21(14-20(22)8)25-23(26)24(15-17(3)4,16-18(5)6)28-12-10-2/h13-14,17-18H,9-12,15-16H2,1-8H3,(H,25,26)
InChIKeyHMJQTFZWMVVPAX-UHFFFAOYSA-N
MW391.60 g/mol
LogP6.29
Rot. Bonds12

About N-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide

N-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide (PubChem CID 100741200) has the molecular formula C24H41NO3 and a molecular weight of 391.60 g/mol. Its IUPAC name is N-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
PubChem CID100741200
Molecular FormulaC24H41NO3
Molecular Weight391.60 g/mol
Exact Mass391.31
IUPAC NameN-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
SMILESCCCOc1c(C)cc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)cc1C
InChIInChI=1S/C24H41NO3/c1-9-11-27-22-19(7)13-21(14-20(22)8)25-23(26)24(15-17(3)4,16-18(5)6)28-12-10-2/h13-14,17-18H,9-12,15-16H2,1-8H3,(H,25,26)
InChIKeyHMJQTFZWMVVPAX-UHFFFAOYSA-N
XLogP6.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide 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

(2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100723924
(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739252
N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100699350
N-[6-(2-ethoxyethoxy)-5-methyl-3-pyridinyl]-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100777968
(2R)-N-(4-methoxy-3,5-dimethylphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100739126
ethyl 2-ethoxy-5-[[4-methyl-2-(2-methylpropyl)-2-propoxypentanoyl]amino]benzoate
CID 100765542
(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100712023
(2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696262
(2R)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696250
N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2-methylheptanamide
CID 133246762
N-(4-butoxy-3-cyanophenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100765606
2-ethoxy-4-methyl-2-(2-methylpropyl)-N-(6-propoxy-3-pyridinyl)pentanamide
CID 100776523

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide?
The IUPAC name of N-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide (CID 100741200) is N-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide.
What is the SMILES notation for N-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide?
The canonical SMILES for N-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide is CCCOc1c(C)cc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)cc1C.
What is the InChIKey of N-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide?
The InChIKey is HMJQTFZWMVVPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO3/c1-9-11-27-22-19(7)13-21(14-20(22)8)25-23(26)24(15-17(3)4,16-18(5)6)28-12-10-2/h13-14,17-18H,9-12,15-16H2,1-8H3,(H,25,26).
What are the key properties of N-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide?
N-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide has a molecular weight of 391.60 g/mol, XLogP of 6.29, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide is sourced from PubChem (CID 100741200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).