2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide

C23H29N3O3 — CID 55824936

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)C(C)Oc2ccc(C(C)C)c(C)c2)cc1
InChIInChI=1S/C23H29N3O3/c1-6-13-24-23(28)26-19-9-7-18(8-10-19)25-22(27)17(5)29-20-11-12-21(15(2)3)16(4)14-20/h6-12,14-15,17H,1,13H2,2-5H3,(H,25,27)(H2,24,26,28)
InChIKeyAIFICXMBNIFRKQ-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.83
Rot. Bonds8

About 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide

2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide (PubChem CID 55824936) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide
PubChem CID55824936
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)C(C)Oc2ccc(C(C)C)c(C)c2)cc1
InChIInChI=1S/C23H29N3O3/c1-6-13-24-23(28)26-19-9-7-18(8-10-19)25-22(27)17(5)29-20-11-12-21(15(2)3)16(4)14-20/h6-12,14-15,17H,1,13H2,2-5H3,(H,25,27)(H2,24,26,28)
InChIKeyAIFICXMBNIFRKQ-UHFFFAOYSA-N
XLogP4.83
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 119385381
butyl 4-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]benzoate
CID 53266872
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218546
N-[2-(methylamino)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119504142
N-(6-amino-3-pyridinyl)-2-(3-methyl-4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119516475
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
2-naphthalen-2-yloxy-N-prop-2-enylpropanamide
CID 12873693
ethyl [4-(prop-2-enylcarbamoylamino)phenyl] carbonate
CID 108865619
(2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 30395136
2-(3-methyl-4-propan-2-ylphenoxy)-N-(2-oxochromen-6-yl)propanamide
CID 55978454
(2S)-2-(4-methoxyphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 9234546
2-amino-3-methyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pentanamide;hydrochloride
CID 119702323

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide (CID 55824936) is 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide is C=CCNC(=O)Nc1ccc(NC(=O)C(C)Oc2ccc(C(C)C)c(C)c2)cc1.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide?
The InChIKey is AIFICXMBNIFRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-6-13-24-23(28)26-19-9-7-18(8-10-19)25-22(27)17(5)29-20-11-12-21(15(2)3)16(4)14-20/h6-12,14-15,17H,1,13H2,2-5H3,(H,25,27)(H2,24,26,28).
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide?
2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide has a molecular weight of 395.50 g/mol, XLogP of 4.83, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-propan-2-ylphenoxy)-N-[4-(prop-2-enylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 55824936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).